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CAS 1185851-52-8 Tafluprost ethyl amide molecular structure lightbox
CAS RN: 1185851-52-8

Tafluprost ethyl amide

  • Product code: SSC-018429
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1185851-52-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

1185851-52-8 / (Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3,5-dihydroxycyclopentyl]-N-ethylhept-5-enamide

SCHEMBL12020280 | VJZKLIPANASSBD-VIGZLNKHSA-N | (E)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3,5-dihydroxycyclopentyl]-N-ethylhept-5-enamide

Standard CAS: 1185851-52-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1185851-52-8
Multi CAS
Yes
Molecular Formula
C24H33F2NO4
Molecular Weight
437.500000
Exact Mass
437.237765
SMILES
CCNC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/C(COC2=CC=CC=C2)(F)F)O)O
InChI
InChI=1S/C24H33F2NO4/c1-2-27-23(30)13-9-4-3-8-12-19-20(22(29)16-21(19)28)14-15-24(25,26)17-31-18-10-6-5-7-11-18/h3,5-8,10-11,14-15,19-22,28-29H,2,4,9,12-13,16-17H2,1H3,(H,27,30)/b8-3-,15-14+/t19-,20-,21+,22-/m1/s1
InChIKey
VJZKLIPANASSBD-MSHHKXPZSA-N
Synonyms
SCHEMBL12020280 VJZKLIPANASSBD-VIGZLNKHSA-N (E)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3,5-dihydroxycyclopentyl]-N-ethylhept-5-enamide

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
12
H-bond acceptors
4
H-bond donors
3
Molar refractivity
115.93
TPSA
78.79

LogP / Solubility

WLOGP
3.87
MLOGP
3.43
XLogP3
3.5
Consensus LogP
3.6
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.15
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H336 (50%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects] H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]
Precautionary Statement Codes
P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P351+P338, P318, P319, P330, P337+P317, P403+P233, P405, and P501

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