9-Bromopregn-4-ene-3,11,20-trione
TL;DR: 9-Bromopregn-4-ene-3,11,20-trione (CAS 6948-10-3) is a chemical compound with molecular formula C21H27BrO3 and molecular weight 406.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9R,10S,13S,14S,17S)-17-acetyl-9-bromo-10,13-dimethyl-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,11-dione
Also Known As: Braxoron, Braxarone, Braxorone, Broxorone, Broxoron
| Molecular Formula | C21H27BrO3 |
|---|---|
| Molecular Weight | 406.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 406.11435 |
| Heavy Atoms | 25 |
| Complexity | 710.0 |
Chemical Identifiers
| CAS Number | 6948-10-3 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@]3([C@H]2CCC4=CC(=O)CC[C@@]43C)Br)C |
| InChIKey | NWFOHSCPTMLQIH-GHMDXEKNSA-N |
Product Overview
9-Bromopregn-4-ene-3,11,20-trione (CAS 6948-10-3), with molecular formula C21H27BrO3 and molecular weight 406.11 g/mol. IUPAC: (8S,9R,10S,13S,14S,17S)-17-acetyl-9-bromo-10,13-dimethyl-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,11-dione.
Chemical Property Profile of 9-Bromopregn-4-ene-3,11,20-trione
Property Insights of 9-Bromopregn-4-ene-3,11,20-trione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Bromopregn-4-ene-3,11,20-trione. With a topological polar surface area (TPSA) of 51.2 Ų, 9-Bromopregn-4-ene-3,11,20-trione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Bromopregn-4-ene-3,11,20-trione has 0 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-Bromopregn-4-ene-3,11,20-trione?
The CAS number of 9-Bromopregn-4-ene-3,11,20-trione is 6948-10-3.
What is the molecular formula of 9-Bromopregn-4-ene-3,11,20-trione?
The molecular formula of 9-Bromopregn-4-ene-3,11,20-trione is C21H27BrO3.
What is the molecular weight of 9-Bromopregn-4-ene-3,11,20-trione?
The molecular weight of 9-Bromopregn-4-ene-3,11,20-trione is 406.11 g/mol.
Where can I buy 9-Bromopregn-4-ene-3,11,20-trione?
You can request a quote for 9-Bromopregn-4-ene-3,11,20-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Bromopregn-4-ene-3,11,20-trione?
Yes, KEHONG BIO provides custom synthesis services for 9-Bromopregn-4-ene-3,11,20-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.