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CAS 191919-02-5 (Z)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl]hept-5-enoic acid molecular structure lightbox
CAS RN: 191919-02-5

(Z)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl]hept-5-enoic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260322 100μg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS191919-02-5
  • Purity/Analytical Methods: >99.0%
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191919-02-5 / (Z)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl]hept-5-enoic acid

Standard CAS: 191919-02-5 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
191919-02-5
Multi CAS
No
Molecular Formula
C20H34O5
Molecular Weight
354.500000
Exact Mass
354.240624
SMILES
CCCCCC(=O)CC[C@H]1[C@@H](C[C@@H]([C@H]1C/C=C\CCCC(=O)O)O)O
InChI
InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-19,22-23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17+,18-,19+/m0/s1
InChIKey
VKTIONYPMSCHQI-JPRPWBOBSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.8
Rotatable bonds
13
H-bond acceptors
4
H-bond donors
3
Molar refractivity
97.24
TPSA
94.83

LogP / Solubility

WLOGP
3.48
MLOGP
3.08
XLogP3
2.6
Consensus LogP
3.05
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.41
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)
-2.42

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

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