CAS RN: 24257-10-1
(all-Z)-6,9,12,15,18-Heneicosapentaenoic Acid
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.20250603 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS24257-10-1
- Purity/Analytical Methods: >99.0%
24257-10-1 / (6E,9E,12E,15E,18E)-henicosa-6,9,12,15,18-pentaenoic acid
Basic Information
CAS
24257-10-1
Multi CAS
No
Molecular Formula
C21H32O2
Molecular Weight
316.500000
Exact Mass
316.240230
SMILES
CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCC(=O)O
InChI
InChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-20H2,1H3,(H,22,23)/b4-3+,7-6+,10-9+,13-12+,16-15+
InChIKey
OQOCQFSPEWCSDO-RCHUDCCISA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.48
Rotatable bonds
14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
100.56
TPSA
37.3
LogP / Solubility
WLOGP
6.38
MLOGP
5.63
XLogP3
6.1
Consensus LogP
6.04
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.76
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.69
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)
-0.12
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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