9-Fluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate
TL;DR: 9-Fluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate (CAS 1250-85-7) is a chemical compound with molecular formula C23H27FO5 and molecular weight 402.18427 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[(8S,9R,10S,11S,13S,14S)-9-fluoro-11-hydroxy-10,13-dimethyl-3-oxo-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: KST-1A0979, 9-Fluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate, [2-[(8S,9R,10S,11S,13S,14S)-9-fluoro-11-hydroxy-10,13-dimethyl-3-oxo-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate, (11, A)-9-fluoro-11-hydroxy-3,20-dioxopregna-1,4,16-trien-21-yl acetate
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C23H27FO5 |
| Molecular Weight | 402.18427 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.18427 Da |
| Heavy Atoms | 29 |
| Complexity | 886.0 |
| SMILES | CC(=O)OCC(=O)C1=CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C |
| InChIKey | YVPGZUWNVLRAKT-XYNXPQAZSA-N |
Chemical Property Profile of 9-Fluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate
Property Insights of 9-Fluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Fluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Fluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate. Following Lipinski's Rule of Five, 9-Fluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-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
What is the CAS number of 9-Fluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate?
The CAS number of 9-Fluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate is 1250-85-7.
What is the molecular formula of 9-Fluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate?
The molecular formula of 9-Fluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate is C23H27FO5.
What is the molecular weight of 9-Fluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate?
The molecular weight of 9-Fluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate is 402.18427 g/mol.
Where can I buy 9-Fluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate?
You can request a quote for 9-Fluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9-Fluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate?
Yes, CoreyChem provides custom synthesis services for 9-Fluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.