CAS RN: 851895-78-8
(3beta)-3-(Acetyloxy)-17-(1H-benzimidazol-1-yl)androsta-5,16-diene-16-carboxaldehyde
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.20250514 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS851895-78-8
- Purity/Analytical Methods: >99.0%
851895-78-8 / [(3S,8R,9S,10R,13S,14S)-17-(benzimidazol-1-yl)-16-formyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Basic Information
CAS
851895-78-8
Multi CAS
Yes
Molecular Formula
C29H34N2O3
Molecular Weight
458.600000
Exact Mass
458.256943
InChI
InChI=1S/C29H34N2O3/c1-18(33)34-21-10-12-28(2)20(15-21)8-9-22-23(28)11-13-29(3)24(22)14-19(16-32)27(29)31-17-30-25-6-4-5-7-26(25)31/h4-8,16-17,21-24H,9-15H2,1-3H3/t21-,22+,23-,24-,28-,29-/m0/s1
InChIKey
BYOULNBXJIWWLD-RYMBKWAASA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
9
Fraction Csp3
0.55
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
131.65
TPSA
61.19
LogP / Solubility
WLOGP
5.95
MLOGP
5.27
XLogP3
5
Consensus LogP
5.41
Log S (ESOL)
-6.43
Class (ESOL)
Insoluble
Log S (Ali)
-7.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.94
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7
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