CAS RN: 30233-64-8
MONOBEHENIN
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.20250606 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS30233-64-8
- Purity/Analytical Methods: >99.0%
30233-64-8 / 1,3-dihydroxypropan-2-yl docosanoate
Basic Information
CAS
30233-64-8
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)29-24(22-26)23-27/h24,26-27H,2-23H2,1H3
InChIKey
DNULQWTYMFQUHB-UHFFFAOYSA-N
Physical Properties
Physical Description
Solid
State
Solid
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
9.4
Consensus LogP
7.34
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
2.5
Customers Also Viewed
-
2-Cyano-6-methyl-4-nitropyridine
- CAS RN: 30235-12-2
- Product Code: starshine_CAS30235-12-2
- Purity/Analytical method: >99.0%
-
4-Chloro-6-methylpyridine-2-carboxylic acid
- CAS RN: 30235-19-9
- Product Code: starshine_CAS30235-19-9
- Purity/Analytical method: >99.0%
-
-
-
-
