17-Bromo-9-fluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione
TL;DR: 17-Bromo-9-fluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione (CAS 61339-36-4) is a chemical compound with molecular formula C22H28BrFO4 and molecular weight 454.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,10S,11S,13S,14S,16R,17R)-17-bromo-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Also Known As: EINECS 262-716-1, 17-Bromo-9-fluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione, (8S,10S,11S,13S,14S,16R,17R)-17-bromo-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one, 17-Bromo-9-fluoro-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione, (9xi)-17-Bromo-9-fluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione
| Molecular Formula | C22H28BrFO4 |
|---|---|
| Molecular Weight | 454.12 g/mol |
| LogP | 3.2983 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 454.1155 |
| Heavy Atoms | 28 |
| Complexity | 808.35846 |
Chemical Identifiers
| CAS Number | 61339-36-4 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3([C@H](C[C@@]2([C@]1(C(=O)CO)Br)C)O)F)C |
Product Overview
17-Bromo-9-fluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione (CAS 61339-36-4), with molecular formula C22H28BrFO4 and molecular weight 454.12 g/mol. IUPAC: (8S,10S,11S,13S,14S,16R,17R)-17-bromo-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 17-Bromo-9-fluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione
Property Insights of 17-Bromo-9-fluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione
The XLogP value of 3.2983 indicates that 17-Bromo-9-fluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 17-Bromo-9-fluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione. Following Lipinski's Rule of Five, 17-Bromo-9-fluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione has 2 hydrogen bond donor(s) and 4 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 17-Bromo-9-fluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione?
The CAS number of 17-Bromo-9-fluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione is 61339-36-4.
What is the molecular formula of 17-Bromo-9-fluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione?
The molecular formula of 17-Bromo-9-fluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione is C22H28BrFO4.
What is the molecular weight of 17-Bromo-9-fluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione?
The molecular weight of 17-Bromo-9-fluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione is 454.12 g/mol.
Where can I buy 17-Bromo-9-fluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione?
You can request a quote for 17-Bromo-9-fluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-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 17-Bromo-9-fluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for 17-Bromo-9-fluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.