9-Fluoro-17-hydroxy-3,20-dioxopregn-4-en-21-yl acetate
TL;DR: 9-Fluoro-17-hydroxy-3,20-dioxopregn-4-en-21-yl acetate (CAS 2820-92-0) is a chemical compound with molecular formula C23H31FO5 and molecular weight 406.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(8S,9R,10S,13S,14S,17R)-9-fluoro-17-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: 9-fluoro-17-hydroxy-3,20-dioxopregn-4-en-21-yl acetate, [2-[(8S,9R,10S,13S,14S,17R)-9-fluoro-17-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate, Pregn-4-ene-3,20-dione,9-fluoro-17,21-dihydroxy-, 21-acetate (7CI,8CI)
| Molecular Formula | C23H31FO5 |
|---|---|
| Molecular Weight | 406.22 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.21555 |
| Heavy Atoms | 29 |
| Complexity | 805.0 |
Chemical Identifiers
| CAS Number | 2820-92-0 |
|---|---|
| SMILES | CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@]3([C@H]2CCC4=CC(=O)CC[C@@]43C)F)C)O |
| InChIKey | LKOGXABWPMYTKE-WBZLUPOGSA-N |
Product Overview
9-Fluoro-17-hydroxy-3,20-dioxopregn-4-en-21-yl acetate (CAS 2820-92-0), with molecular formula C23H31FO5 and molecular weight 406.22 g/mol. IUPAC: [2-[(8S,9R,10S,13S,14S,17R)-9-fluoro-17-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
Chemical Property Profile of 9-Fluoro-17-hydroxy-3,20-dioxopregn-4-en-21-yl acetate
Property Insights of 9-Fluoro-17-hydroxy-3,20-dioxopregn-4-en-21-yl acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Fluoro-17-hydroxy-3,20-dioxopregn-4-en-21-yl acetate. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Fluoro-17-hydroxy-3,20-dioxopregn-4-en-21-yl acetate. Following Lipinski's Rule of Five, 9-Fluoro-17-hydroxy-3,20-dioxopregn-4-en-21-yl acetate has 1 hydrogen bond donor(s) and 6 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-17-hydroxy-3,20-dioxopregn-4-en-21-yl acetate?
The CAS number of 9-Fluoro-17-hydroxy-3,20-dioxopregn-4-en-21-yl acetate is 2820-92-0.
What is the molecular formula of 9-Fluoro-17-hydroxy-3,20-dioxopregn-4-en-21-yl acetate?
The molecular formula of 9-Fluoro-17-hydroxy-3,20-dioxopregn-4-en-21-yl acetate is C23H31FO5.
What is the molecular weight of 9-Fluoro-17-hydroxy-3,20-dioxopregn-4-en-21-yl acetate?
The molecular weight of 9-Fluoro-17-hydroxy-3,20-dioxopregn-4-en-21-yl acetate is 406.22 g/mol.
Where can I buy 9-Fluoro-17-hydroxy-3,20-dioxopregn-4-en-21-yl acetate?
You can request a quote for 9-Fluoro-17-hydroxy-3,20-dioxopregn-4-en-21-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Fluoro-17-hydroxy-3,20-dioxopregn-4-en-21-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 9-Fluoro-17-hydroxy-3,20-dioxopregn-4-en-21-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.