9-Fluoro-11beta,17beta-dihydroxy-16alpha-methylandrosta-1,4-dien-3-one
TL;DR: 9-Fluoro-11beta,17beta-dihydroxy-16alpha-methylandrosta-1,4-dien-3-one (CAS 45974-07-0) is a chemical compound with molecular formula C20H27FO3 and molecular weight 334.19 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)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one
Also Known As: BENZOPHENONE,3,5-DIHYDROXY, 9-Fluoro-11beta,17beta-dihydroxy-16alpha-methylandrosta-1,4-dien-3-one, 9-Fluoro-11,17-dihydroxy-16-methylandrosta-1,4-dien-3-one, J2.792.562F, (8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one
| Molecular Formula | C20H27FO3 |
|---|---|
| Molecular Weight | 334.19 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 334.19443 |
| Heavy Atoms | 24 |
| Complexity | 655.0 |
Chemical Identifiers
| CAS Number | 45974-07-0 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@H]1O)C)O)F)C |
| InChIKey | KRJYQZVCFICBNU-NBLXTBOZSA-N |
Product Overview
9-Fluoro-11beta,17beta-dihydroxy-16alpha-methylandrosta-1,4-dien-3-one (CAS 45974-07-0), with molecular formula C20H27FO3 and molecular weight 334.19 g/mol. IUPAC: (8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 9-Fluoro-11beta,17beta-dihydroxy-16alpha-methylandrosta-1,4-dien-3-one
Property Insights of 9-Fluoro-11beta,17beta-dihydroxy-16alpha-methylandrosta-1,4-dien-3-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Fluoro-11beta,17beta-dihydroxy-16alpha-methylandrosta-1,4-dien-3-one. With a topological polar surface area (TPSA) of 57.5 Ų, 9-Fluoro-11beta,17beta-dihydroxy-16alpha-methylandrosta-1,4-dien-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Fluoro-11beta,17beta-dihydroxy-16alpha-methylandrosta-1,4-dien-3-one 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 9-Fluoro-11beta,17beta-dihydroxy-16alpha-methylandrosta-1,4-dien-3-one?
The CAS number of 9-Fluoro-11beta,17beta-dihydroxy-16alpha-methylandrosta-1,4-dien-3-one is 45974-07-0.
What is the molecular formula of 9-Fluoro-11beta,17beta-dihydroxy-16alpha-methylandrosta-1,4-dien-3-one?
The molecular formula of 9-Fluoro-11beta,17beta-dihydroxy-16alpha-methylandrosta-1,4-dien-3-one is C20H27FO3.
What is the molecular weight of 9-Fluoro-11beta,17beta-dihydroxy-16alpha-methylandrosta-1,4-dien-3-one?
The molecular weight of 9-Fluoro-11beta,17beta-dihydroxy-16alpha-methylandrosta-1,4-dien-3-one is 334.19 g/mol.
Where can I buy 9-Fluoro-11beta,17beta-dihydroxy-16alpha-methylandrosta-1,4-dien-3-one?
You can request a quote for 9-Fluoro-11beta,17beta-dihydroxy-16alpha-methylandrosta-1,4-dien-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Fluoro-11beta,17beta-dihydroxy-16alpha-methylandrosta-1,4-dien-3-one?
Yes, KEHONG BIO provides custom synthesis services for 9-Fluoro-11beta,17beta-dihydroxy-16alpha-methylandrosta-1,4-dien-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.