12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one
TL;DR: 12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one (CAS 20117-33-3) is a chemical compound with molecular formula C19H27FO3 and molecular weight 322.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,10R,11R,12R,13S,14S,17S)-12-fluoro-11,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: 12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one, J2.793.221E, Androst-4-en-3-one, 12-fluoro-11beta,17beta-dihydroxy-, 12, A-fluoro-11
| Molecular Formula | C19H27FO3 |
|---|---|
| Molecular Weight | 322.19 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 322.19443 |
| Heavy Atoms | 23 |
| Complexity | 573.0 |
Chemical Identifiers
| CAS Number | 20117-33-3 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H]([C@@H]([C@]4([C@H]3CC[C@@H]4O)C)F)O |
| InChIKey | JKRMUSMTFMBPFM-HPLVRFQDSA-N |
Product Overview
12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one (CAS 20117-33-3), with molecular formula C19H27FO3 and molecular weight 322.19 g/mol. IUPAC: (8S,9S,10R,11R,12R,13S,14S,17S)-12-fluoro-11,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one
Property Insights of 12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one. With a topological polar surface area (TPSA) of 57.5 Ų, 12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-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 12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one?
The CAS number of 12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one is 20117-33-3.
What is the molecular formula of 12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one?
The molecular formula of 12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one is C19H27FO3.
What is the molecular weight of 12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one?
The molecular weight of 12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one is 322.19 g/mol.
Where can I buy 12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one?
You can request a quote for 12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.