(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
TL;DR: (3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol (CAS 72007-69-3) is a chemical compound with molecular formula C20H33FO3 and molecular weight 340.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5S,8S,9R,10S,11S,13S,14S,17S)-9-fluoro-10,13,17-trimethyl-2,3,4,5,6,7,8,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11,17-triol
Also Known As: (3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol, J2.789.794K, 9-Fluoro-17-methylandrostane-3,11,17-triol, 9-Fluoro-17-methylandrostane-3,11,17-triol #, 9-fluoro-17
| Molecular Formula | C20H33FO3 |
|---|---|
| Molecular Weight | 340.24 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 340.24136 |
| Heavy Atoms | 24 |
| Complexity | 541.0 |
Chemical Identifiers
| CAS Number | 72007-69-3 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3CC[C@]4(C)O)C)O)F)O |
| InChIKey | XKASGEXHNLDQIB-AYWFNIBGSA-N |
Product Overview
(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol (CAS 72007-69-3), with molecular formula C20H33FO3 and molecular weight 340.24 g/mol. IUPAC: (3S,5S,8S,9R,10S,11S,13S,14S,17S)-9-fluoro-10,13,17-trimethyl-2,3,4,5,6,7,8,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11,17-triol.
Chemical Property Profile of (3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Property Insights of (3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
The XLogP value of 3.0 indicates that (3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol. Following Lipinski's Rule of Five, (3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol has 3 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 (3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol?
The CAS number of (3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol is 72007-69-3.
What is the molecular formula of (3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol?
The molecular formula of (3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol is C20H33FO3.
What is the molecular weight of (3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol?
The molecular weight of (3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol is 340.24 g/mol.
Where can I buy (3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol?
You can request a quote for (3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol?
Yes, KEHONG BIO provides custom synthesis services for (3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.