CAS RN: 5431-33-4
2,3-epoxypropyl oleate
Product Availability
Choose a grade to view its available package options.
5 package records1 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260117 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS5431-33-4
- Purity/Analytical Methods: >99.0%
5431-33-4 / oxiran-2-ylmethyl octadec-9-enoate
Basic Information
CAS
5431-33-4
Multi CAS
Yes
Molecular Formula
C21H38O3
Molecular Weight
338.500000
Exact Mass
338.282095
InChI
InChI=1S/C21H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)24-19-20-18-23-20/h9-10,20H,2-8,11-19H2,1H3/b10-9-
InChIKey
VWYIWOYBERNXLX-KTKRTIGZSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.86
Rotatable bonds
17
H-bond acceptors
3
Molar refractivity
100.15
TPSA
38.83
LogP / Solubility
WLOGP
5.97
MLOGP
5.27
XLogP3
7.3
Consensus LogP
6.18
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.85
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
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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