CAS RN: 2410075-48-6
7-Keto Abiraterone Acetate
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.20250610 | 10mg / 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2410075-48-6
- Purity/Analytical Methods: >99.0%
2410075-48-6 / [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-7-oxo-17-pyridin-3-yl-1,2,3,4,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-yl] acetate
Basic Information
CAS
2410075-48-6
Multi CAS
No
Molecular Formula
C26H31NO3
Molecular Weight
405.500000
Exact Mass
405.230394
SMILES
CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C(=O)C=C2C1)CC=C4C5=CN=CC=C5)C)C
InChI
InChI=1S/C26H31NO3/c1-16(28)30-19-8-10-25(2)18(13-19)14-23(29)24-21-7-6-20(17-5-4-12-27-15-17)26(21,3)11-9-22(24)25/h4-6,12,14-15,19,21-22,24H,7-11,13H2,1-3H3/t19-,21-,22-,24-,25-,26+/m0/s1
InChIKey
FQBUSWIVMLHLIY-HMMDQRRVSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
115.24
TPSA
56.26
LogP / Solubility
WLOGP
5.15
MLOGP
4.56
XLogP3
4.1
Consensus LogP
4.6
Log S (ESOL)
-5.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.81
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5
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