9-Fluoro-11-hydroxy-3,20-dioxopregna-4,16-dien-21-yl acetate
TL;DR: 9-Fluoro-11-hydroxy-3,20-dioxopregna-4,16-dien-21-yl acetate (CAS 638-89-1) is a chemical compound with molecular formula C23H29FO5 and molecular weight 404.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(8S,10S,11S,13S,14S)-9-fluoro-11-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: Amboside, 9-Fluoro-11-hydroxy-3,20-dioxopregna-4,16-dien-21-yl acetate, (9xi)-9-Fluoro-11beta-hydroxy-3,20-dioxopregna-4,16-dien-21-yl acetate, [2-[(8S,10S,11S,13S,14S)-9-fluoro-11-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
| Molecular Formula | C23H29FO5 |
|---|---|
| Molecular Weight | 404.20 g/mol |
| LogP | 3.2497 |
| Topological Polar Surface Area | 80.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.1999 |
| Heavy Atoms | 29 |
| Complexity | 844.20624 |
Chemical Identifiers
| CAS Number | 638-89-1 |
|---|---|
| SMILES | CC(=O)OCC(=O)C1=CC[C@@H]2[C@@]1(C[C@@H](C3([C@H]2CCC4=CC(=O)CC[C@@]43C)F)O)C |
Product Overview
9-Fluoro-11-hydroxy-3,20-dioxopregna-4,16-dien-21-yl acetate (CAS 638-89-1), with molecular formula C23H29FO5 and molecular weight 404.20 g/mol. IUPAC: [2-[(8S,10S,11S,13S,14S)-9-fluoro-11-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
Chemical Property Profile of 9-Fluoro-11-hydroxy-3,20-dioxopregna-4,16-dien-21-yl acetate
Property Insights of 9-Fluoro-11-hydroxy-3,20-dioxopregna-4,16-dien-21-yl acetate
The XLogP value of 3.2497 indicates that 9-Fluoro-11-hydroxy-3,20-dioxopregna-4,16-dien-21-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Fluoro-11-hydroxy-3,20-dioxopregna-4,16-dien-21-yl acetate. Following Lipinski's Rule of Five, 9-Fluoro-11-hydroxy-3,20-dioxopregna-4,16-dien-21-yl acetate 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-3,20-dioxopregna-4,16-dien-21-yl acetate?
The CAS number of 9-Fluoro-11-hydroxy-3,20-dioxopregna-4,16-dien-21-yl acetate is 638-89-1.
What is the molecular formula of 9-Fluoro-11-hydroxy-3,20-dioxopregna-4,16-dien-21-yl acetate?
The molecular formula of 9-Fluoro-11-hydroxy-3,20-dioxopregna-4,16-dien-21-yl acetate is C23H29FO5.
What is the molecular weight of 9-Fluoro-11-hydroxy-3,20-dioxopregna-4,16-dien-21-yl acetate?
The molecular weight of 9-Fluoro-11-hydroxy-3,20-dioxopregna-4,16-dien-21-yl acetate is 404.20 g/mol.
Where can I buy 9-Fluoro-11-hydroxy-3,20-dioxopregna-4,16-dien-21-yl acetate?
You can request a quote for 9-Fluoro-11-hydroxy-3,20-dioxopregna-4,16-dien-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-11-hydroxy-3,20-dioxopregna-4,16-dien-21-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 9-Fluoro-11-hydroxy-3,20-dioxopregna-4,16-dien-21-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.