9-Fluoro-11-hydroxy-16-methyl-17,21-epoxypregna-1,4-diene-3,20-dione
TL;DR: 9-Fluoro-11-hydroxy-16-methyl-17,21-epoxypregna-1,4-diene-3,20-dione (CAS 4089-36-5) is a chemical compound with molecular formula C22H27FO4 and molecular weight 374.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,10S,11S,13S,14S,16R)-9-fluoro-11-hydroxy-10,13,16-trimethylspiro[6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17,2'-oxetane]-3,3'-dione
Also Known As: Dexamethasone oxetanone, 9-Fluoro-11-hydroxy-16-methyl-17,21-epoxypregna-1,4-diene-3,20-dione, (8S,10S,11S,13S,14S,16R)-9-fluoro-11-hydroxy-10,13,16-trimethylspiro[6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17,2'-oxetane]-3,3'-dione, (9xi,17xi)-9-Fluoro-11beta-hydroxy-16alpha-methyl-17,21-epoxypregna-1,4-diene-3,20-dione, Pregna-1,4-diene-3,20-dione, 17,21-epoxy-9-fluoro-11-hydroxy-16-methyl-, (11beta,16alpha)-
| Molecular Formula | C22H27FO4 |
|---|---|
| Molecular Weight | 374.19 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 374.18933 |
| Heavy Atoms | 27 |
| Complexity | 817.0 |
Chemical Identifiers
| CAS Number | 4089-36-5 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3([C@H](C[C@@]2(C15C(=O)CO5)C)O)F)C |
| InChIKey | PLIOZIVVVLFDAA-CTCDMPKSSA-N |
Product Overview
9-Fluoro-11-hydroxy-16-methyl-17,21-epoxypregna-1,4-diene-3,20-dione (CAS 4089-36-5), with molecular formula C22H27FO4 and molecular weight 374.19 g/mol. IUPAC: (8S,10S,11S,13S,14S,16R)-9-fluoro-11-hydroxy-10,13,16-trimethylspiro[6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17,2'-oxetane]-3,3'-dione.
Chemical Property Profile of 9-Fluoro-11-hydroxy-16-methyl-17,21-epoxypregna-1,4-diene-3,20-dione
Property Insights of 9-Fluoro-11-hydroxy-16-methyl-17,21-epoxypregna-1,4-diene-3,20-dione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Fluoro-11-hydroxy-16-methyl-17,21-epoxypregna-1,4-diene-3,20-dione. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Fluoro-11-hydroxy-16-methyl-17,21-epoxypregna-1,4-diene-3,20-dione. Following Lipinski's Rule of Five, 9-Fluoro-11-hydroxy-16-methyl-17,21-epoxypregna-1,4-diene-3,20-dione has 1 hydrogen bond donor(s) and 5 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 9-Fluoro-11-hydroxy-16-methyl-17,21-epoxypregna-1,4-diene-3,20-dione?
The CAS number of 9-Fluoro-11-hydroxy-16-methyl-17,21-epoxypregna-1,4-diene-3,20-dione is 4089-36-5.
What is the molecular formula of 9-Fluoro-11-hydroxy-16-methyl-17,21-epoxypregna-1,4-diene-3,20-dione?
The molecular formula of 9-Fluoro-11-hydroxy-16-methyl-17,21-epoxypregna-1,4-diene-3,20-dione is C22H27FO4.
What is the molecular weight of 9-Fluoro-11-hydroxy-16-methyl-17,21-epoxypregna-1,4-diene-3,20-dione?
The molecular weight of 9-Fluoro-11-hydroxy-16-methyl-17,21-epoxypregna-1,4-diene-3,20-dione is 374.19 g/mol.
Where can I buy 9-Fluoro-11-hydroxy-16-methyl-17,21-epoxypregna-1,4-diene-3,20-dione?
You can request a quote for 9-Fluoro-11-hydroxy-16-methyl-17,21-epoxypregna-1,4-diene-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 9-Fluoro-11-hydroxy-16-methyl-17,21-epoxypregna-1,4-diene-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for 9-Fluoro-11-hydroxy-16-methyl-17,21-epoxypregna-1,4-diene-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.