(9xi)-9-Fluoro-11beta,17-dihydroxypregn-4-ene-3,20-dione
TL;DR: (9xi)-9-Fluoro-11beta,17-dihydroxypregn-4-ene-3,20-dione (CAS 337-03-1) 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,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Also Known As: Flugestone, Tox21_113230, CAS-337-03-1, (9xi)-9-Fluoro-11beta,17-dihydroxypregn-4-ene-3,20-dione, (8S,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
| Molecular Formula | C21H29FO4 |
|---|---|
| Molecular Weight | 364.20 g/mol |
| LogP | 2.9013 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 364.205 |
| Heavy Atoms | 26 |
| Complexity | 716.7996 |
Chemical Identifiers
| CAS Number | 337-03-1 |
|---|---|
| SMILES | CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H](C3([C@H]2CCC4=CC(=O)CC[C@@]43C)F)O)C)O |
Product Overview
(9xi)-9-Fluoro-11beta,17-dihydroxypregn-4-ene-3,20-dione (CAS 337-03-1), with molecular formula C21H29FO4 and molecular weight 364.20 g/mol. IUPAC: (8S,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of (9xi)-9-Fluoro-11beta,17-dihydroxypregn-4-ene-3,20-dione
Property Insights of (9xi)-9-Fluoro-11beta,17-dihydroxypregn-4-ene-3,20-dione
The XLogP value of 2.9013 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (9xi)-9-Fluoro-11beta,17-dihydroxypregn-4-ene-3,20-dione. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (9xi)-9-Fluoro-11beta,17-dihydroxypregn-4-ene-3,20-dione. Following Lipinski's Rule of Five, (9xi)-9-Fluoro-11beta,17-dihydroxypregn-4-ene-3,20-dione 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 (9xi)-9-Fluoro-11beta,17-dihydroxypregn-4-ene-3,20-dione?
The CAS number of (9xi)-9-Fluoro-11beta,17-dihydroxypregn-4-ene-3,20-dione is 337-03-1.
What is the molecular formula of (9xi)-9-Fluoro-11beta,17-dihydroxypregn-4-ene-3,20-dione?
The molecular formula of (9xi)-9-Fluoro-11beta,17-dihydroxypregn-4-ene-3,20-dione is C21H29FO4.
What is the molecular weight of (9xi)-9-Fluoro-11beta,17-dihydroxypregn-4-ene-3,20-dione?
The molecular weight of (9xi)-9-Fluoro-11beta,17-dihydroxypregn-4-ene-3,20-dione is 364.20 g/mol.
Where can I buy (9xi)-9-Fluoro-11beta,17-dihydroxypregn-4-ene-3,20-dione?
You can request a quote for (9xi)-9-Fluoro-11beta,17-dihydroxypregn-4-ene-3,20-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (9xi)-9-Fluoro-11beta,17-dihydroxypregn-4-ene-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for (9xi)-9-Fluoro-11beta,17-dihydroxypregn-4-ene-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.