CAS RN: 6610-25-9
Arachidonic acid sodium salt from Mortierella alpina, ≥98.5% (GC)
Product Availability
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5 package records5 with current stock1 grade group
- Product code: LINA920849
6610-25-9 / sodium (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Basic Information
CAS
6610-25-9
Multi CAS
Yes
Molecular Formula
C20H31NAO2
Molecular Weight
326.400000
Exact Mass
326.222175
InChI
InChI=1S/C20H32O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22);/q;+1/p-1/b7-6-,10-9-,13-12-,16-15-;
InChIKey
DDMGAAYEUNWXSI-XVSDJDOKSA-M
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.55
Rotatable bonds
14
H-bond acceptors
2
Molar refractivity
93.41
TPSA
40.13
LogP / Solubility
WLOGP
1.89
MLOGP
1.67
XLogP3
1.89
Consensus LogP
1.82
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.03
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)
-3.37
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
