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CAS 177931-23-6 15(R)-HYDROXY-9(Z),12(Z)-OCTADECADIENOIC ACID molecular structure lightbox
CAS RN: 177931-23-6

15(R)-HYDROXY-9(Z),12(Z)-OCTADECADIENOIC ACID

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250410 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS177931-23-6
  • Purity/Analytical Methods: >99.0%
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177931-23-6 / (9Z,12Z,15R)-15-hydroxyoctadeca-9,12-dienoic acid

Standard CAS: 177931-23-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
177931-23-6
Multi CAS
No
Molecular Formula
C18H32O3
Molecular Weight
296.400000
Exact Mass
296.235145
SMILES
CCC[C@H](C/C=C\C/C=C\CCCCCCCC(=O)O)O
InChI
InChI=1S/C18H32O3/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)21/h4,6,10,12,17,19H,2-3,5,7-9,11,13-16H2,1H3,(H,20,21)/b6-4-,12-10-/t17-/m1/s1
InChIKey
MZQXAWAWDWCIKG-SPSBLGDNSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.72
Rotatable bonds
14
H-bond acceptors
2
H-bond donors
2
Molar refractivity
88.38
TPSA
57.53

LogP / Solubility

WLOGP
4.86
MLOGP
4.28
XLogP3
5.1
Consensus LogP
4.75
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.3
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
No
Log Kp (skin permeation)
-1.08

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
3

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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