CAS RN: 2290484-49-8
(Z)-3-hydroxyicos-11-enoic acid
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.20251023 | 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2290484-49-8
- Purity/Analytical Methods: >99.0%
2290484-49-8 / (E)-3-hydroxyicos-11-enoic acid
Basic Information
CAS
2290484-49-8
Multi CAS
No
Molecular Formula
C20H38O3
Molecular Weight
326.500000
Exact Mass
326.282095
SMILES
CCCCCCCC/C=C/CCCCCCCC(CC(=O)O)O
InChI
InChI=1S/C20H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(22)23/h9-10,19,21H,2-8,11-18H2,1H3,(H,22,23)/b10-9-
InChIKey
SBPXXWBTOQUFGY-KTKRTIGZSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.85
Rotatable bonds
17
H-bond acceptors
2
H-bond donors
2
Molar refractivity
97.71
TPSA
57.53
LogP / Solubility
WLOGP
5.86
MLOGP
5.17
XLogP3
7
Consensus LogP
6.01
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.47
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)
-0.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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