CAS RN: 57086-93-8
ALPHA-LINOLENOYL ETHANOLAMIDE
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.20251223 | 5mg / 10mg / 50mg / 100mg | Confirm by inquiry | Shanghai, Hebei | Inquiry |
- Product code: starshine_CAS57086-93-8
- Purity/Analytical Methods: >99.0%
57086-93-8 / (9Z,12Z,15Z)-N-(2-hydroxyethyl)octadeca-9,12,15-trienamide
Basic Information
CAS
57086-93-8
Multi CAS
Yes
Molecular Formula
C20H35NO2
Molecular Weight
321.500000
Exact Mass
321.266779
InChI
InChI=1S/C20H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h3-4,6-7,9-10,22H,2,5,8,11-19H2,1H3,(H,21,23)/b4-3-,7-6-,10-9-
InChIKey
HBJXRRXWHSHZPU-PDBXOOCHSA-N
Physical Properties
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.65
Rotatable bonds
15
H-bond acceptors
2
H-bond donors
2
Molar refractivity
99.36
TPSA
49.33
LogP / Solubility
WLOGP
4.68
MLOGP
4.14
XLogP3
5
Consensus LogP
4.61
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.44
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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