CAS RN: 6916-74-1
BEHENIN
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260602 | 250mg | Out of stock | Inquiry |
- Product code: starshine_CAS6916-74-1
- Purity/Analytical Methods: >99.0%
6916-74-1 / 2,3-dihydroxypropyl docosanoate
Basic Information
CAS
6916-74-1
Multi CAS
Yes
Molecular Formula
C25H50O4
Molecular Weight
414.700000
Exact Mass
414.370910
InChI
InChI=1S/C25H50O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(27)22-26/h24,26-27H,2-23H2,1H3
InChIKey
OKMWKBLSFKFYGZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
0.96
Rotatable bonds
23
H-bond acceptors
4
H-bond donors
2
Molar refractivity
122.07
TPSA
66.76
LogP / Solubility
WLOGP
6.7
MLOGP
5.93
XLogP3
9.6
Consensus LogP
7.41
Log S (ESOL)
-5.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.68
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
Yes
Log Kp (skin permeation)
-0.49
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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