CAS RN: 24880-40-8
8Z,11Z,14Z,17Z-EICOSATETRAENOIC ACID
Product Availability
Choose a grade to view its available package options.
3 package records1 with current stock2 grade groups
- Product code: starshine_CAS24880-40-8
- Purity/Analytical Methods: >99.0%
24880-40-8 / icosa-8,11,14,17-tetraenoic acid
Basic Information
CAS
24880-40-8
Multi CAS
No
Molecular Formula
C20H32O2
Molecular Weight
304.500000
Exact Mass
304.240230
SMILES
CCC=CCC=CCC=CCC=CCCCCCCC(=O)O
InChI
InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13H,2,5,8,11,14-19H2,1H3,(H,21,22)
InChIKey
HQPCSDADVLFHHO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.55
Rotatable bonds
14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
96.04
TPSA
37.3
LogP / Solubility
WLOGP
6.22
MLOGP
5.48
XLogP3
6.3
Consensus LogP
6
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.48
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)
-0.16
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
Customers Also Viewed
-
CIS-7,10,13,16,19-DOCOSA-PENTAENOIC ACID
- CAS RN: 24880-45-3
- Product Code: starshine_CAS24880-45-3
- Purity/Analytical method: >99.0%
-
-
BOC-MET-ONP
- CAS RN: 2488-18-8
- Product Code: starshine_CAS2488-18-8
- Purity/Analytical method: >99.0%
-
5-Fluorosulfonyl-2-methoxybenzoic acid
- CAS RN: 2488-50-8
- Product Code: starshine_CAS2488-50-8
- Purity/Analytical method: >99.0%
-
4-(DIFLUOROMETHYLSULFONYL)CHLOROBENZENE
- CAS RN: 2488-53-1
- Product Code: starshine_CAS2488-53-1
- Purity/Analytical method: >99.0%
-
Pipofezine
- CAS RN: 24886-52-0
- Product Code: starshine_CAS24886-52-0
- Purity/Analytical method: >99.0%
