11β-羟基-12α-溴孕酮
TL;DR: 11β-羟基-12α-溴孕酮 (CAS 14559-79-6) is a chemical compound with molecular formula C21H29BrO3 and molecular weight 408.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11β-羟基-12α-溴孕酮
(8S,9S,10R,11R,12R,13S,14S,17S)-17-acetyl-12-bromo-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: 11beta-Hydroxy-12alpha-bromoprogesterone, A-hydroxy-12, A-bromoprogesterone, 12alpha-Bromo-11beta-hydroxypregn-4-ene-3,20-dione, 12-alpha-Bromo-11-beta-hydroxypregn-4-ene-3,20-dione
| Molecular Formula | C21H29BrO3 |
|---|---|
| Molecular Weight | 408.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 408.13 |
| Heavy Atoms | 25 |
| Complexity | 656.0 |
Chemical Identifiers
| CAS Number | 14559-79-6 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1([C@H]([C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)Br)C |
| InChIKey | BJZVIASULZGRCL-YRCLAMMRSA-N |
Product Overview
11β-羟基-12α-溴孕酮 (CAS 14559-79-6), with molecular formula C21H29BrO3 and molecular weight 408.13 g/mol. IUPAC: (8S,9S,10R,11R,12R,13S,14S,17S)-17-acetyl-12-bromo-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 11β-羟基-12α-溴孕酮
Property Insights of 11β-羟基-12α-溴孕酮
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11β-羟基-12α-溴孕酮. With a topological polar surface area (TPSA) of 54.4 Ų, 11β-羟基-12α-溴孕酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11β-羟基-12α-溴孕酮 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 11β-羟基-12α-溴孕酮?
The CAS number of 11β-羟基-12α-溴孕酮 is 14559-79-6.
What is the molecular formula of 11β-羟基-12α-溴孕酮?
The molecular formula of 11β-羟基-12α-溴孕酮 is C21H29BrO3.
What is the molecular weight of 11β-羟基-12α-溴孕酮?
The molecular weight of 11β-羟基-12α-溴孕酮 is 408.13 g/mol.
Where can I buy 11β-羟基-12α-溴孕酮?
You can request a quote for 11β-羟基-12α-溴孕酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11β-羟基-12α-溴孕酮?
Yes, KEHONG BIO provides custom synthesis services for 11β-羟基-12α-溴孕酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.