CAS RN: 140129-22-2
15,16-Dihydroxyoctadeca-9Z,12Z-dienoic acid
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250428 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS140129-22-2
- Purity/Analytical Methods: >99.0%
140129-22-2 / (9Z,12Z)-15,16-dihydroxyoctadeca-9,12-dienoic acid
Basic Information
CAS
140129-22-2
Multi CAS
No
Molecular Formula
C18H32O4
Molecular Weight
312.400000
Exact Mass
312.230060
SMILES
CCC(C(C/C=C\C/C=C\CCCCCCCC(=O)O)O)O
InChI
InChI=1S/C18H32O4/c1-2-16(19)17(20)14-12-10-8-6-4-3-5-7-9-11-13-15-18(21)22/h4,6,10,12,16-17,19-20H,2-3,5,7-9,11,13-15H2,1H3,(H,21,22)/b6-4-,12-10-
InChIKey
LKLLJYJTYPVCID-OHPMOLHNSA-N
Physical Properties
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.72
Rotatable bonds
14
H-bond acceptors
3
H-bond donors
3
Molar refractivity
89.77
TPSA
77.76
LogP / Solubility
WLOGP
3.83
MLOGP
3.38
XLogP3
4.1
Consensus LogP
3.77
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.55
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.91
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
3.5
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