9alpha-Fluoro-11beta,17-dihydroxy-17-methyl-5beta-androstan-3-one
TL;DR: 9alpha-Fluoro-11beta,17-dihydroxy-17-methyl-5beta-androstan-3-one (CAS 5452-48-2) is a chemical compound with molecular formula C20H31FO3 and molecular weight 338.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,8S,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13,17-trimethyl-1,2,4,5,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: KST-1A5834, U 6796, 9alpha-Fluoro-11beta,17-dihydroxy-17-methyl-5beta-androstan-3-one, (5, A,9xi,11
| Molecular Formula | C20H31FO3 |
|---|---|
| Molecular Weight | 338.23 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 338.2257 |
| Heavy Atoms | 24 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 5452-48-2 |
|---|---|
| SMILES | C[C@]12CCC(=O)C[C@H]1CC[C@@H]3C2([C@H](C[C@]4([C@H]3CC[C@@]4(C)O)C)O)F |
| InChIKey | OFGHFEJLUUXXNZ-WEQYOFCDSA-N |
Product Overview
9alpha-Fluoro-11beta,17-dihydroxy-17-methyl-5beta-androstan-3-one (CAS 5452-48-2), with molecular formula C20H31FO3 and molecular weight 338.23 g/mol. IUPAC: (5R,8S,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13,17-trimethyl-1,2,4,5,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 9alpha-Fluoro-11beta,17-dihydroxy-17-methyl-5beta-androstan-3-one
Property Insights of 9alpha-Fluoro-11beta,17-dihydroxy-17-methyl-5beta-androstan-3-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9alpha-Fluoro-11beta,17-dihydroxy-17-methyl-5beta-androstan-3-one. With a topological polar surface area (TPSA) of 57.5 Ų, 9alpha-Fluoro-11beta,17-dihydroxy-17-methyl-5beta-androstan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9alpha-Fluoro-11beta,17-dihydroxy-17-methyl-5beta-androstan-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 9alpha-Fluoro-11beta,17-dihydroxy-17-methyl-5beta-androstan-3-one?
The CAS number of 9alpha-Fluoro-11beta,17-dihydroxy-17-methyl-5beta-androstan-3-one is 5452-48-2.
What is the molecular formula of 9alpha-Fluoro-11beta,17-dihydroxy-17-methyl-5beta-androstan-3-one?
The molecular formula of 9alpha-Fluoro-11beta,17-dihydroxy-17-methyl-5beta-androstan-3-one is C20H31FO3.
What is the molecular weight of 9alpha-Fluoro-11beta,17-dihydroxy-17-methyl-5beta-androstan-3-one?
The molecular weight of 9alpha-Fluoro-11beta,17-dihydroxy-17-methyl-5beta-androstan-3-one is 338.23 g/mol.
Where can I buy 9alpha-Fluoro-11beta,17-dihydroxy-17-methyl-5beta-androstan-3-one?
You can request a quote for 9alpha-Fluoro-11beta,17-dihydroxy-17-methyl-5beta-androstan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9alpha-Fluoro-11beta,17-dihydroxy-17-methyl-5beta-androstan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 9alpha-Fluoro-11beta,17-dihydroxy-17-methyl-5beta-androstan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.