N-Cyclopropyl Bimatoprost

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  • Identifiers

    CAS number
    1138395-12-6

    Molecular formula
    C26H37NO4

    SMILES
    C1CC1NC(=O)CCC/C=C\C[C@H]2[C@H](C[C@H]([C@@H]2/C=C/[C@H](CCC3=CC=CC=C3)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 35.47%
    Savory 31.31%
    Spicy 29.41%
    Herbal 27.15%
    Meaty 26.59%
    Cooling 24.41%
    Sweet 23.8%
    Fruity 22.76%
    Oily 22.18%
    Milky 19.8%

     

    Flavor
    Bitter 45.97%
    Odorless 27.87%
    Mild 25.04%
    Herbal 24.38%
    Cedarleaf 20.31%
    Nitrile 20.04%
    Sweet-like 19.75%
    Oriental 19.69%
    Sandalwood 19.51%
    Butyric 19.21%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.1 (neutral)

    Molecular weight
    427.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1324°C

    Flash point

    • 232.52 ˚C est.

  • Synonyms

    • N-Cyclopropyl Bimatoprost
    • 1138395-12-6
    • N-CyclopropylBimatoprost
    • (Z)-N-cyclopropyl-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enamide
    • Bimatoprost cyclopropyl amide
    • orb1692446
    • SCHEMBL12928679
    • C26H37NO4
    • AKOS040756128
    • HY-124241
    • CS-0085999
    • 17-phenyl trinor Prostaglandin F2?? cyclopropyl amide
    • (5Z)-N-Cyclopropyl-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]cyclopentyl]-5-heptenamide
    • (Z)-N-cyclopropyl-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenyl-pent-1-enyl]cyclopentyl]hept-5-enamide
    • 1138395-12-6

  • Applications

    N-Cyclopropyl Bimatoprost, CAS 1138395-12-6, is primarily encountered as an intermediate in the synthesis of prostaglandin analogs and as a tool in pharmaceutical research to explore structure-activity relationships (SAR). In drug development, it serves as a building block for the preparation of prostaglandin derivatives with potential therapeutic applications and as a precursor in medicinal chemistry studies toward further drug candidates. It is also used as an analytical reference material for method development, assay accuracy, and impurity profiling in pharmaceutical manufacturing. Additionally, it supports academic and industry research aimed at evaluating prostaglandin receptor activity and related functional derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.68
    methanol 11.52
    isopropanol 0.68
    water 0.09
    ethyl acetate 0.59
    n-propanol 1.71
    acetone 1.75
    n-butanol 1.54
    acetonitrile 0.46
    DMF 7.05
    toluene 0.36
    isobutanol 0.81
    1,4-dioxane 3.45
    methyl acetate 0.73
    THF 11.44
    2-butanone 1.78
    n-pentanol 1.56
    sec-butanol 0.88
    n-hexane 0.03
    ethylene glycol 1.36
    NMP 11.15
    cyclohexane 0.05
    DMSO 18.59
    n-butyl acetate 0.62
    n-octanol 1.25
    chloroform 2.13
    n-propyl acetate 0.64
    acetic acid 7.61
    dichloromethane 1.73
    cyclohexanone 5.42
    propylene glycol 2.94
    isopropyl acetate 0.59
    DMAc 20.84
    2-ethoxyethanol 9.89
    isopentanol 1.34
    n-heptane 0.05
    ethyl formate 1.33
    1,2-dichloroethane 0.97
    n-hexanol 1.09
    2-methoxyethanol 15.41
    isobutyl acetate 0.53
    tetrachloromethane 0.32
    n-pentyl acetate 1.37
    transcutol 34.5
    n-heptanol 1.59
    ethylbenzene 0.25
    MIBK 1.19
    2-propoxyethanol 8.66
    tert-butanol 0.74
    MTBE 0.54
    2-butoxyethanol 8.34
    propionic acid 2.18
    o-xylene 0.3
    formic acid 10.72
    diethyl ether 0.4
    m-xylene 0.27
    p-xylene 0.26
    chlorobenzene 0.48
    dimethyl carbonate 1.03
    n-octane 0.03
    formamide 10.39
    cyclopentanone 6.59
    2-pentanone 1.28
    anisole 1.17
    cyclopentyl methyl ether 1.48
    gamma-butyrolactone 5.82
    1-methoxy-2-propanol 7.86
    pyridine 2.85
    3-pentanone 0.96
    furfural 8.35
    n-dodecane 0.02
    diethylene glycol 7.4
    diisopropyl ether 0.13
    tert-amyl alcohol 1.09
    acetylacetone 2.43
    n-hexadecane 0.03
    acetophenone 1.81
    methyl propionate 0.99
    isopentyl acetate 0.96
    trichloroethylene 2.54
    n-nonanol 1.42
    cyclohexanol 1.27
    benzyl alcohol 2.29
    2-ethylhexanol 0.66
    isooctanol 1.23
    dipropyl ether 0.58
    1,2-dichlorobenzene 0.61
    ethyl lactate 1.83
    propylene carbonate 2.36
    n-methylformamide 4.23
    2-pentanol 0.54
    n-pentane 0.03
    1-propoxy-2-propanol 4.36
    1-methoxy-2-propyl acetate 2.33
    2-(2-methoxypropoxy) propanol 8.17
    mesitylene 0.17
    ε-caprolactone 4.73
    p-cymene 0.21
    epichlorohydrin 6.72
    1,1,1-trichloroethane 0.48
    2-aminoethanol 3.78
    morpholine-4-carbaldehyde 13.01
    sulfolane 15.64
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 2.22
    n-hexyl acetate 1.91
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 11.94
    sec-butyl acetate 0.49
    tert-butyl acetate 0.94
    decalin 0.05
    glycerin 8.73
    diglyme 19.66
    acrylic acid 3.24
    isopropyl myristate 0.63
    n-butyric acid 3.0
    acetyl acetate 0.75
    di(2-ethylhexyl) phthalate 1.75
    ethyl propionate 0.62
    nitromethane 6.62
    1,2-diethoxyethane 2.38
    benzonitrile 1.02
    trioctyl phosphate 1.03
    1-bromopropane 0.32
    gamma-valerolactone 18.46
    n-decanol 0.82
    triethyl phosphate 0.95
    4-methyl-2-pentanol 0.55
    propionitrile 0.55
    vinylene carbonate 2.41
    1,1,2-trichlorotrifluoroethane 16.58
    DMS 1.16
    cumene 0.21
    2-octanol 0.65
    2-hexanone 1.29
    octyl acetate 1.04
    limonene 0.31
    1,2-dimethoxyethane 8.89
    ethyl orthosilicate 0.99
    tributyl phosphate 1.05
    diacetone alcohol 3.75
    N,N-dimethylaniline 1.05
    acrylonitrile 0.99
    aniline 1.14
    1,3-propanediol 5.03
    bromobenzene 0.36
    dibromomethane 0.71
    1,1,2,2-tetrachloroethane 2.64
    2-methyl-cyclohexyl acetate 1.49
    tetrabutyl urea 1.82
    diisobutyl methanol 0.39
    2-phenylethanol 1.92
    styrene 0.25
    dioctyl adipate 1.63
    dimethyl sulfate 3.14
    ethyl butyrate 0.72
    methyl lactate 3.52
    butyl lactate 2.94
    diethyl carbonate 0.55
    propanediol butyl ether 8.28
    triethyl orthoformate 1.15
    p-tert-butyltoluene 0.21
    methyl 4-tert-butylbenzoate 3.76
    morpholine 6.01
    tert-butylamine 0.27
    n-dodecanol 0.48
    dimethoxymethane 4.6
    ethylene carbonate 1.76
    cyrene 11.13
    2-ethoxyethyl acetate 3.11
    2-ethylhexyl acetate 0.69
    1,2,4-trichlorobenzene 0.97
    4-methylpyridine 1.55
    dibutyl ether 0.68
    2,6-dimethyl-4-heptanol 0.39
    DEF 2.4
    dimethyl isosorbide 10.75
    tetrachloroethylene 2.07
    eugenol 5.35
    triacetin 3.72
    span 80 6.12
    1,4-butanediol 2.15
    1,1-dichloroethane 0.39
    2-methyl-1-pentanol 1.58
    methyl formate 2.62
    2-methyl-1-butanol 1.39
    n-decane 0.05
    butyronitrile 0.66
    3,7-dimethyl-1-octanol 0.96
    1-chlorooctane 0.29
    1-chlorotetradecane 0.1
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.03
    cyclooctane 0.03
    cyclopentanol 1.52
    tetrahydropyran 1.83
    tert-amyl methyl ether 0.67
    2,5,8-trioxanonane 13.18
    1-hexene 0.15
    2-isopropoxyethanol 4.58
    2,2,2-trifluoroethanol 2.93
    methyl butyrate 1.03

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction