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CAS 1420791-14-5 15(S)-Fluprostenol isopropyl ester molecular structure lightbox
CAS RN: 1420791-14-5

15(S)-Fluprostenol isopropyl ester

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250828 1mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1420791-14-5
  • Purity/Analytical Methods: >99.0%
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1420791-14-5 / propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate

Standard CAS: 1420791-14-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1420791-14-5
Multi CAS
No
Molecular Formula
C26H35F3O6
Molecular Weight
500.500000
Exact Mass
500.238573
SMILES
CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@@H](COC2=CC=CC(=C2)C(F)(F)F)O)O)O
InChI
InChI=1S/C26H35F3O6/c1-17(2)35-25(33)11-6-4-3-5-10-21-22(24(32)15-23(21)31)13-12-19(30)16-34-20-9-7-8-18(14-20)26(27,28)29/h3,5,7-9,12-14,17,19,21-24,30-32H,4,6,10-11,15-16H2,1-2H3/b5-3-,13-12+/t19-,21+,22+,23-,24+/m0/s1
InChIKey
MKPLKVHSHYCHOC-AURHPGDUSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
12
H-bond acceptors
6
H-bond donors
3
Molar refractivity
124.53
TPSA
96.22

LogP / Solubility

WLOGP
4.43
MLOGP
3.93
XLogP3
4.1
Consensus LogP
4.15
Log S (ESOL)
-5.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.86
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.03
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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