9-Bromo-17beta-hydroxy-17-methyl-androst-4-ene-3,11-dione
TL;DR: 9-Bromo-17beta-hydroxy-17-methyl-androst-4-ene-3,11-dione (CAS 103768-76-9) is a chemical compound with molecular formula C20H27BrO3 and molecular weight 394.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9R,10S,13S,14S,17S)-9-bromo-17-hydroxy-10,13,17-trimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
Also Known As: 9-Bromo-17beta-hydroxy-17-methyl-androst-4-ene-3,11-dione, 9-bromo-17, A-hydroxy-17-methylandrost-4-ene-3,11-dione, 9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-3,11-dione, Androst-4-ene-3,11-dione,9-bromo-17beta-hydroxy-17-methyl-
| Molecular Formula | C20H27BrO3 |
|---|---|
| Molecular Weight | 394.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 394.11435 |
| Heavy Atoms | 24 |
| Complexity | 670.0 |
Chemical Identifiers
| CAS Number | 103768-76-9 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2(C(=O)C[C@]4([C@H]3CC[C@]4(C)O)C)Br |
| InChIKey | PFQNFOUXMWTIHZ-MWTXUKJESA-N |
Product Overview
9-Bromo-17beta-hydroxy-17-methyl-androst-4-ene-3,11-dione (CAS 103768-76-9), with molecular formula C20H27BrO3 and molecular weight 394.11 g/mol. IUPAC: (8S,9R,10S,13S,14S,17S)-9-bromo-17-hydroxy-10,13,17-trimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione.
Chemical Property Profile of 9-Bromo-17beta-hydroxy-17-methyl-androst-4-ene-3,11-dione
Property Insights of 9-Bromo-17beta-hydroxy-17-methyl-androst-4-ene-3,11-dione
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Bromo-17beta-hydroxy-17-methyl-androst-4-ene-3,11-dione. With a topological polar surface area (TPSA) of 54.4 Ų, 9-Bromo-17beta-hydroxy-17-methyl-androst-4-ene-3,11-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Bromo-17beta-hydroxy-17-methyl-androst-4-ene-3,11-dione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-Bromo-17beta-hydroxy-17-methyl-androst-4-ene-3,11-dione?
The CAS number of 9-Bromo-17beta-hydroxy-17-methyl-androst-4-ene-3,11-dione is 103768-76-9.
What is the molecular formula of 9-Bromo-17beta-hydroxy-17-methyl-androst-4-ene-3,11-dione?
The molecular formula of 9-Bromo-17beta-hydroxy-17-methyl-androst-4-ene-3,11-dione is C20H27BrO3.
What is the molecular weight of 9-Bromo-17beta-hydroxy-17-methyl-androst-4-ene-3,11-dione?
The molecular weight of 9-Bromo-17beta-hydroxy-17-methyl-androst-4-ene-3,11-dione is 394.11 g/mol.
Where can I buy 9-Bromo-17beta-hydroxy-17-methyl-androst-4-ene-3,11-dione?
You can request a quote for 9-Bromo-17beta-hydroxy-17-methyl-androst-4-ene-3,11-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Bromo-17beta-hydroxy-17-methyl-androst-4-ene-3,11-dione?
Yes, KEHONG BIO provides custom synthesis services for 9-Bromo-17beta-hydroxy-17-methyl-androst-4-ene-3,11-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.