9-Fluoro-17-hydroxypregn-4-ene-3,11,20-trione acetate
TL;DR: 9-Fluoro-17-hydroxypregn-4-ene-3,11,20-trione acetate (CAS 377-26-4) 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.
[(8S,10S,13S,14S,17R)-17-acetyl-9-fluoro-10,13-dimethyl-3,11-dioxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Also Known As: 4-08-00-02997 (Beilstein Handbook Reference), 9-Fluoro-17-hydroxypregn-4-ene-3,11,20-trione acetate, Pregn-4-ene-3,11,20-trione, 9-fluoro-17-hydroxy-, acetate, [(8S,10S,13S,14S,17R)-17-acetyl-9-fluoro-10,13-dimethyl-3,11-dioxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate, BRN 3180612
| Molecular Formula | C23H29FO5 |
|---|---|
| Molecular Weight | 404.20 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.1999 |
| Heavy Atoms | 29 |
| Complexity | 861.0 |
Chemical Identifiers
| CAS Number | 377-26-4 |
|---|---|
| SMILES | CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)C3([C@H]2CCC4=CC(=O)CC[C@@]43C)F)C)OC(=O)C |
| InChIKey | CPTGCTAREUTHOQ-BPOMOSBLSA-N |
Product Overview
9-Fluoro-17-hydroxypregn-4-ene-3,11,20-trione acetate (CAS 377-26-4), with molecular formula C23H29FO5 and molecular weight 404.20 g/mol. IUPAC: [(8S,10S,13S,14S,17R)-17-acetyl-9-fluoro-10,13-dimethyl-3,11-dioxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of 9-Fluoro-17-hydroxypregn-4-ene-3,11,20-trione acetate
Property Insights of 9-Fluoro-17-hydroxypregn-4-ene-3,11,20-trione acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Fluoro-17-hydroxypregn-4-ene-3,11,20-trione acetate. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Fluoro-17-hydroxypregn-4-ene-3,11,20-trione acetate. Following Lipinski's Rule of Five, 9-Fluoro-17-hydroxypregn-4-ene-3,11,20-trione acetate has 0 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-hydroxypregn-4-ene-3,11,20-trione acetate?
The CAS number of 9-Fluoro-17-hydroxypregn-4-ene-3,11,20-trione acetate is 377-26-4.
What is the molecular formula of 9-Fluoro-17-hydroxypregn-4-ene-3,11,20-trione acetate?
The molecular formula of 9-Fluoro-17-hydroxypregn-4-ene-3,11,20-trione acetate is C23H29FO5.
What is the molecular weight of 9-Fluoro-17-hydroxypregn-4-ene-3,11,20-trione acetate?
The molecular weight of 9-Fluoro-17-hydroxypregn-4-ene-3,11,20-trione acetate is 404.20 g/mol.
Where can I buy 9-Fluoro-17-hydroxypregn-4-ene-3,11,20-trione acetate?
You can request a quote for 9-Fluoro-17-hydroxypregn-4-ene-3,11,20-trione 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-hydroxypregn-4-ene-3,11,20-trione acetate?
Yes, KEHONG BIO provides custom synthesis services for 9-Fluoro-17-hydroxypregn-4-ene-3,11,20-trione acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.