N-Cyclopropyl Methyl Bimatoprost

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  • Identifiers

    CAS number
    1138395-10-4

    Molecular formula
    C27H39NO4

    SMILES
    C1CC1CNC(=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
    Savory 32.94%
    Spicy 31.72%
    Herbal 30.89%
    Odorless 30.55%
    Meaty 29.82%
    Cooling 26.58%
    Fruity 24.63%
    Sweet 23.88%
    Oily 22.87%
    Mint 21.52%

     

    Flavor
    Bitter 40.38%
    Odorless 28.76%
    Herbal 26.82%
    Mild 25.48%
    Cedarleaf 20.46%
    Nitrile 20.0%
    Oriental 19.81%
    Sweet-like 19.76%
    Sandalwood 19.68%
    Bland 19.58%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    7.51 (neutral)

    Molecular weight
    441.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1530°C

    Flash point

    • 236.5 ˚C est.

  • Synonyms

    • 1138395-10-4
    • N-Cyclopropyl Methyl Bimatoprost
    • 17-phenyl trinor Prostaglandin F2|A cyclopropyl methyl amide
    • (Z)-N-(Cyclopropylmethyl)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enamide
    • 17-phenyl trinor Prostaglandin F2alpha cyclopropyl methyl amide
    • C27H39NO4
    • A cyclopropyl methyl amide
    • orb1692445
    • SCHEMBL12928708
    • 17-phenyl trinor Prostaglandin F2
    • AKOS040756129
    • PD020155
    • HY-124243
    • CS-0086012
    • 17-phenyl trinor PGF2alpha cyclopropyl methyl amide
    • 17-phenyl trinor Prostaglandin F2?? cyclopropyl methyl amide
    • (Z)-N-(cyclopropylmethyl)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenyl-pent-1-enyl]cyclopentyl]hept-5-enamide
    • 1138395-10-4

  • Applications

    N-Cyclopropyl Methyl Bimatoprost (CAS 1138395-10-4) is typically used in pharmaceutical chemistry as an intermediate and building block for prostaglandin analogs, supporting medicinal chemistry programs and scalable synthesis for research purposes; it is often evaluated for pharmaceutical R&D workflows, including ophthalmic prostaglandin analogue development, analytical method development, and library generation in medicinal chemistry; it may also serve as a specialty reagent or reference material in laboratories and by contract manufacturers for bespoke prostaglandin-related projects.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.88
    methanol 10.13
    isopropanol 0.85
    water 0.09
    ethyl acetate 0.72
    n-propanol 1.86
    acetone 2.05
    n-butanol 1.75
    acetonitrile 0.52
    DMF 5.22
    toluene 0.5
    isobutanol 0.94
    1,4-dioxane 4.06
    methyl acetate 0.9
    THF 12.98
    2-butanone 2.15
    n-pentanol 1.77
    sec-butanol 1.11
    n-hexane 0.05
    ethylene glycol 1.18
    NMP 8.74
    cyclohexane 0.08
    DMSO 15.75
    n-butyl acetate 0.71
    n-octanol 1.62
    chloroform 2.97
    n-propyl acetate 0.75
    acetic acid 7.88
    dichloromethane 2.18
    cyclohexanone 5.63
    propylene glycol 2.76
    isopropyl acetate 0.77
    DMAc 17.39
    2-ethoxyethanol 9.33
    isopentanol 1.59
    n-heptane 0.07
    ethyl formate 1.41
    1,2-dichloroethane 1.2
    n-hexanol 1.26
    2-methoxyethanol 13.8
    isobutyl acetate 0.64
    tetrachloromethane 0.46
    n-pentyl acetate 1.67
    transcutol 35.07
    n-heptanol 1.95
    ethylbenzene 0.33
    MIBK 1.45
    2-propoxyethanol 8.01
    tert-butanol 0.96
    MTBE 0.8
    2-butoxyethanol 8.66
    propionic acid 2.26
    o-xylene 0.41
    formic acid 8.89
    diethyl ether 0.52
    m-xylene 0.37
    p-xylene 0.33
    chlorobenzene 0.6
    dimethyl carbonate 1.06
    n-octane 0.04
    formamide 8.55
    cyclopentanone 6.18
    2-pentanone 1.48
    anisole 1.37
    cyclopentyl methyl ether 1.69
    gamma-butyrolactone 5.44
    1-methoxy-2-propanol 7.75
    pyridine 3.24
    3-pentanone 1.08
    furfural 7.91
    n-dodecane 0.03
    diethylene glycol 6.41
    diisopropyl ether 0.17
    tert-amyl alcohol 1.42
    acetylacetone 2.76
    n-hexadecane 0.04
    acetophenone 1.96
    methyl propionate 1.08
    isopentyl acetate 1.12
    trichloroethylene 3.01
    n-nonanol 1.8
    cyclohexanol 1.49
    benzyl alcohol 2.51
    2-ethylhexanol 0.79
    isooctanol 1.52
    dipropyl ether 0.68
    1,2-dichlorobenzene 0.74
    ethyl lactate 1.86
    propylene carbonate 2.51
    n-methylformamide 3.46
    2-pentanol 0.66
    n-pentane 0.04
    1-propoxy-2-propanol 4.39
    1-methoxy-2-propyl acetate 2.46
    2-(2-methoxypropoxy) propanol 8.48
    mesitylene 0.22
    ε-caprolactone 5.0
    p-cymene 0.27
    epichlorohydrin 7.09
    1,1,1-trichloroethane 0.7
    2-aminoethanol 3.29
    morpholine-4-carbaldehyde 10.81
    sulfolane 13.8
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 2.72
    n-hexyl acetate 2.31
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 12.59
    sec-butyl acetate 0.62
    tert-butyl acetate 1.23
    decalin 0.06
    glycerin 7.39
    diglyme 20.17
    acrylic acid 3.13
    isopropyl myristate 0.76
    n-butyric acid 3.36
    acetyl acetate 0.94
    di(2-ethylhexyl) phthalate 1.88
    ethyl propionate 0.7
    nitromethane 6.4
    1,2-diethoxyethane 2.69
    benzonitrile 1.08
    trioctyl phosphate 1.14
    1-bromopropane 0.42
    gamma-valerolactone 17.14
    n-decanol 1.04
    triethyl phosphate 0.98
    4-methyl-2-pentanol 0.68
    propionitrile 0.6
    vinylene carbonate 2.41
    1,1,2-trichlorotrifluoroethane 16.0
    DMS 1.24
    cumene 0.28
    2-octanol 0.86
    2-hexanone 1.49
    octyl acetate 1.22
    limonene 0.38
    1,2-dimethoxyethane 8.99
    ethyl orthosilicate 1.05
    tributyl phosphate 1.14
    diacetone alcohol 4.43
    N,N-dimethylaniline 1.2
    acrylonitrile 1.01
    aniline 1.35
    1,3-propanediol 4.87
    bromobenzene 0.47
    dibromomethane 0.92
    1,1,2,2-tetrachloroethane 3.31
    2-methyl-cyclohexyl acetate 1.58
    tetrabutyl urea 1.93
    diisobutyl methanol 0.48
    2-phenylethanol 2.04
    styrene 0.32
    dioctyl adipate 1.79
    dimethyl sulfate 2.96
    ethyl butyrate 0.79
    methyl lactate 3.35
    butyl lactate 3.23
    diethyl carbonate 0.59
    propanediol butyl ether 8.77
    triethyl orthoformate 1.21
    p-tert-butyltoluene 0.27
    methyl 4-tert-butylbenzoate 4.19
    morpholine 6.7
    tert-butylamine 0.37
    n-dodecanol 0.6
    dimethoxymethane 4.4
    ethylene carbonate 1.81
    cyrene 10.41
    2-ethoxyethyl acetate 3.57
    2-ethylhexyl acetate 0.8
    1,2,4-trichlorobenzene 1.15
    4-methylpyridine 1.77
    dibutyl ether 0.85
    2,6-dimethyl-4-heptanol 0.48
    DEF 2.37
    dimethyl isosorbide 10.43
    tetrachloroethylene 2.54
    eugenol 5.55
    triacetin 4.17
    span 80 6.76
    1,4-butanediol 2.06
    1,1-dichloroethane 0.56
    2-methyl-1-pentanol 1.82
    methyl formate 2.28
    2-methyl-1-butanol 1.62
    n-decane 0.07
    butyronitrile 0.75
    3,7-dimethyl-1-octanol 1.2
    1-chlorooctane 0.39
    1-chlorotetradecane 0.13
    n-nonane 0.05
    undecane 0.05
    tert-butylcyclohexane 0.05
    cyclooctane 0.04
    cyclopentanol 1.69
    tetrahydropyran 2.37
    tert-amyl methyl ether 0.91
    2,5,8-trioxanonane 13.32
    1-hexene 0.2
    2-isopropoxyethanol 4.77
    2,2,2-trifluoroethanol 3.03
    methyl butyrate 1.15

    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