9alpha-Fluorocorticosterone
TL;DR: 9alpha-Fluorocorticosterone (CAS 336-45-8) is a chemical compound with molecular formula C21H29FO4 and molecular weight 364.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,10S,11S,13S,14S,17S)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: 9alpha-Fluorocorticosterone, 9-Fluoro-11,21-dihydroxypregn-4-ene-3,20-dione, (8S,10S,11S,13S,14S,17S)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one, Pregn-4-ene-3,20-dione, 9-fluoro-11,21-dihydroxy-, (11beta)-, (9xi)-9-Fluoro-11beta,21-dihydroxypregn-4-ene-3,20-dione
| Molecular Formula | C21H29FO4 |
|---|---|
| Molecular Weight | 364.20 g/mol |
| LogP | 2.7588 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 364.205 |
| Heavy Atoms | 26 |
| Complexity | 687.49854 |
Chemical Identifiers
| CAS Number | 336-45-8 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3C2([C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O)F |
Product Overview
9alpha-Fluorocorticosterone (CAS 336-45-8), with molecular formula C21H29FO4 and molecular weight 364.20 g/mol. IUPAC: (8S,10S,11S,13S,14S,17S)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 9alpha-Fluorocorticosterone
Property Insights of 9alpha-Fluorocorticosterone
The XLogP value of 2.7588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9alpha-Fluorocorticosterone. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 9alpha-Fluorocorticosterone. Following Lipinski's Rule of Five, 9alpha-Fluorocorticosterone 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-Fluorocorticosterone?
The CAS number of 9alpha-Fluorocorticosterone is 336-45-8.
What is the molecular formula of 9alpha-Fluorocorticosterone?
The molecular formula of 9alpha-Fluorocorticosterone is C21H29FO4.
What is the molecular weight of 9alpha-Fluorocorticosterone?
The molecular weight of 9alpha-Fluorocorticosterone is 364.20 g/mol.
Where can I buy 9alpha-Fluorocorticosterone?
You can request a quote for 9alpha-Fluorocorticosterone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9alpha-Fluorocorticosterone?
Yes, KEHONG BIO provides custom synthesis services for 9alpha-Fluorocorticosterone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.