9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione
TL;DR: 9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione (CAS 17246-18-3) is a chemical compound with molecular formula C22H31BrO3 and molecular weight 422.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9R,10S,11S,13S,14S,16R,17S)-17-acetyl-9-bromo-11-hydroxy-10,13,16-trimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: 9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione, J2.793.167G, 9-bromo-11, A-hydroxy-16, A-methylpregn-4-ene-3,20-dione
| Molecular Formula | C22H31BrO3 |
|---|---|
| Molecular Weight | 422.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 422.14566 |
| Heavy Atoms | 26 |
| Complexity | 700.0 |
Chemical Identifiers
| CAS Number | 17246-18-3 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4([C@]3([C@H](C[C@@]2([C@H]1C(=O)C)C)O)Br)C |
| InChIKey | SQLIUCAXJYQFID-GAYBOGBZSA-N |
Product Overview
9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione (CAS 17246-18-3), with molecular formula C22H31BrO3 and molecular weight 422.15 g/mol. IUPAC: (8S,9R,10S,11S,13S,14S,16R,17S)-17-acetyl-9-bromo-11-hydroxy-10,13,16-trimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione
Property Insights of 9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione
The XLogP value of 3.2 indicates that 9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-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-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione?
The CAS number of 9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione is 17246-18-3.
What is the molecular formula of 9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione?
The molecular formula of 9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione is C22H31BrO3.
What is the molecular weight of 9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione?
The molecular weight of 9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione is 422.15 g/mol.
Where can I buy 9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione?
You can request a quote for 9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-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-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for 9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.