CAS RN: 822-18-4
9,12,15-Octadecatrienoic acid, sodium salt, (Z,Z,Z)-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250807 | 50mg / 250mg / 1g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS822-18-4
- Purity/Analytical Methods: >99.0%
822-18-4 / sodium (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Basic Information
CAS
822-18-4
Multi CAS
Yes
Molecular Formula
C18H29NAO2
Molecular Weight
300.400000
Exact Mass
300.206524
InChI
InChI=1S/C18H30O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20);/q;+1/p-1/b4-3-,7-6-,10-9-;
InChIKey
UNZSHUCNBUBSGW-IFNWOZJISA-M
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.61
Rotatable bonds
13
H-bond acceptors
2
Molar refractivity
84.27
TPSA
40.13
LogP / Solubility
WLOGP
1.33
MLOGP
1.18
XLogP3
1.33
Consensus LogP
1.28
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.28
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.61
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
2.5
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