9-Bromo-11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate
TL;DR: 9-Bromo-11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate (CAS 93052-90-5) is a chemical compound with molecular formula C24H31BrO6 and molecular weight 494.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(6S,8S,9R,10S,11S,13S,14S,17R)-9-bromo-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: Prednisolone Impurity 65, Prednisolone, 21-acetate, 9-Bromo-11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate, Pregna-1,4-diene-3,20-dione, 9-bromo-11.beta.,17,21-trihydroxy-, Pregna-1,20-dione, 9-bromo-11.beta.,17,21-trihydroxy-6.alpha.-methyl-, 21-acetate
| Molecular Formula | C24H31BrO6 |
|---|---|
| Molecular Weight | 494.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 494.1304 |
| Heavy Atoms | 31 |
| Complexity | 910.0 |
Chemical Identifiers
| CAS Number | 93052-90-5 |
|---|---|
| SMILES | C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@]2([C@@]4(C1=CC(=O)C=C4)C)Br)O)C)(C(=O)COC(=O)C)O |
| InChIKey | XOQOMKHSENZMAZ-OOACPSMNSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-Bromo-11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate (CAS 93052-90-5), with molecular formula C24H31BrO6 and molecular weight 494.13 g/mol. IUPAC: [2-[(6S,8S,9R,10S,11S,13S,14S,17R)-9-bromo-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
Chemical Property Profile of 9-Bromo-11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate
Property Insights of 9-Bromo-11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Bromo-11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Bromo-11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate. Following Lipinski's Rule of Five, 9-Bromo-11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate has 2 hydrogen bond donor(s) and 6 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-11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate?
The CAS number of 9-Bromo-11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate is 93052-90-5.
What is the molecular formula of 9-Bromo-11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate?
The molecular formula of 9-Bromo-11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate is C24H31BrO6.
What is the molecular weight of 9-Bromo-11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate?
The molecular weight of 9-Bromo-11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate is 494.13 g/mol.
Where can I buy 9-Bromo-11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate?
You can request a quote for 9-Bromo-11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-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-11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 9-Bromo-11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.