9-Bromo-11-hydroxy-3,20-dioxopregn-4-en-17-yl acetate
TL;DR: 9-Bromo-11-hydroxy-3,20-dioxopregn-4-en-17-yl acetate (CAS 24320-15-8) is a chemical compound with molecular formula C23H31BrO5 and molecular weight 466.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(17-acetyl-9-bromo-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl) acetate
Also Known As: 9-bromo-11-hydroxy-3,20-dioxopregn-4-en-17-yl acetate, (17-acetyl-9-bromo-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl) acetate
| Molecular Formula | C23H31BrO5 |
|---|---|
| Molecular Weight | 466.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 466.1355 |
| Heavy Atoms | 29 |
| Complexity | 820.0 |
Chemical Identifiers
| CAS Number | 24320-15-8 |
|---|---|
| SMILES | CC(=O)C1(CCC2C1(CC(C3(C2CCC4=CC(=O)CCC43C)Br)O)C)OC(=O)C |
| InChIKey | BSBKWSKMSCDDNJ-UHFFFAOYSA-N |
Product Overview
9-Bromo-11-hydroxy-3,20-dioxopregn-4-en-17-yl acetate (CAS 24320-15-8), with molecular formula C23H31BrO5 and molecular weight 466.14 g/mol. IUPAC: (17-acetyl-9-bromo-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl) acetate.
Chemical Property Profile of 9-Bromo-11-hydroxy-3,20-dioxopregn-4-en-17-yl acetate
Property Insights of 9-Bromo-11-hydroxy-3,20-dioxopregn-4-en-17-yl acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Bromo-11-hydroxy-3,20-dioxopregn-4-en-17-yl acetate. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Bromo-11-hydroxy-3,20-dioxopregn-4-en-17-yl acetate. Following Lipinski's Rule of Five, 9-Bromo-11-hydroxy-3,20-dioxopregn-4-en-17-yl acetate has 1 hydrogen bond donor(s) and 5 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-11-hydroxy-3,20-dioxopregn-4-en-17-yl acetate?
The CAS number of 9-Bromo-11-hydroxy-3,20-dioxopregn-4-en-17-yl acetate is 24320-15-8.
What is the molecular formula of 9-Bromo-11-hydroxy-3,20-dioxopregn-4-en-17-yl acetate?
The molecular formula of 9-Bromo-11-hydroxy-3,20-dioxopregn-4-en-17-yl acetate is C23H31BrO5.
What is the molecular weight of 9-Bromo-11-hydroxy-3,20-dioxopregn-4-en-17-yl acetate?
The molecular weight of 9-Bromo-11-hydroxy-3,20-dioxopregn-4-en-17-yl acetate is 466.14 g/mol.
Where can I buy 9-Bromo-11-hydroxy-3,20-dioxopregn-4-en-17-yl acetate?
You can request a quote for 9-Bromo-11-hydroxy-3,20-dioxopregn-4-en-17-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Bromo-11-hydroxy-3,20-dioxopregn-4-en-17-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 9-Bromo-11-hydroxy-3,20-dioxopregn-4-en-17-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.