CAS RN: 123940-93-2
ω-3 Arachidonic Acid ethyl ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251008 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS123940-93-2
- Purity/Analytical Methods: >99.0%
123940-93-2 / ethyl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
Basic Information
CAS
123940-93-2
Multi CAS
No
Molecular Formula
C22H36O2
Molecular Weight
332.500000
Exact Mass
332.271530
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OCC
InChI
InChI=1S/C22H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h5-6,8-9,11-12,14-15H,3-4,7,10,13,16-21H2,1-2H3/b6-5-,9-8-,12-11-,15-14-
InChIKey
LKBDTOYINRNCSY-AFSLFLIVSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.59
Rotatable bonds
15
H-bond acceptors
2
Molar refractivity
105.04
TPSA
26.3
LogP / Solubility
WLOGP
6.7
MLOGP
5.91
XLogP3
7
Consensus LogP
6.54
Log S (ESOL)
-5.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.18
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
0.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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