CAS RN: 39903-21-4
29-Hydroxyfriedelane-3-one
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.20250829 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS39903-21-4
- Purity/Analytical Methods: >99.0%
39903-21-4 / (4aS,6aS,6aS,6bR,8aS,12aR,14aR,14bS)-11-(hydroxymethyl)-4,4,4a,6a,6b,8a,11,14a-octamethyl-1,2,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-one
Basic Information
CAS
39903-21-4
Multi CAS
Yes
Molecular Formula
C31H52O2
Molecular Weight
456.700000
Exact Mass
456.396731
InChI
InChI=1S/C30H50O2/c1-20-21(32)8-9-22-27(20,4)11-10-23-28(22,5)15-17-30(7)24-18-25(2,19-31)12-13-26(24,3)14-16-29(23,30)6/h20,22-24,31H,8-19H2,1-7H3
InChIKey
NAOCHKKFDYTOII-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Fraction Csp3
0.97
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
135.77
TPSA
37.3
LogP / Solubility
WLOGP
7.82
MLOGP
6.91
XLogP3
8.6
Consensus LogP
7.78
Log S (ESOL)
-7.53
Class (ESOL)
Insoluble
Log S (Ali)
-8.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.24
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)
0.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8
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