Pregn-4-ene-3,20-dione, 21-fluoro-17-hydroxy-6-methylene-, acetate
TL;DR: Pregn-4-ene-3,20-dione, 21-fluoro-17-hydroxy-6-methylene-, acetate (CAS 2414-52-0) is a chemical compound with molecular formula C24H31FO4 and molecular weight 402.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,10R,13S,14S,17R)-17-(2-fluoroacetyl)-10,13-dimethyl-6-methylidene-3-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Also Known As: 6-Methylene-21-fluoro-17-acetoxyprogesterone, Pregn-4-ene-3,20-dione, 21-fluoro-17-hydroxy-6-methylene-, acetate, Pregn-4-ene-3,20-dione, 17-(acetyloxy)-21-fluoro-6-methylene-, 21-fluoro-6-methylidene-3,20-dioxopregn-4-en-17-yl acetate, [(8R,9S,10R,13S,14S,17R)-17-(2-fluoroacetyl)-10,13-dimethyl-6-methylidene-3-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
| Molecular Formula | C24H31FO4 |
|---|---|
| Molecular Weight | 402.22 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.22064 |
| Heavy Atoms | 29 |
| Complexity | 829.0 |
Chemical Identifiers
| CAS Number | 2414-52-0 |
|---|---|
| SMILES | CC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=C)C4=CC(=O)CC[C@]34C)C)C(=O)CF |
| InChIKey | BBSUNMQYYAAEMH-USYNNDFZSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pregn-4-ene-3,20-dione, 21-fluoro-17-hydroxy-6-methylene-, acetate (CAS 2414-52-0), with molecular formula C24H31FO4 and molecular weight 402.22 g/mol. IUPAC: [(8R,9S,10R,13S,14S,17R)-17-(2-fluoroacetyl)-10,13-dimethyl-6-methylidene-3-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of Pregn-4-ene-3,20-dione, 21-fluoro-17-hydroxy-6-methylene-, acetate
Property Insights of Pregn-4-ene-3,20-dione, 21-fluoro-17-hydroxy-6-methylene-, acetate
The XLogP value of 3.7 indicates that Pregn-4-ene-3,20-dione, 21-fluoro-17-hydroxy-6-methylene-, acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Pregn-4-ene-3,20-dione, 21-fluoro-17-hydroxy-6-methylene-, acetate. Following Lipinski's Rule of Five, Pregn-4-ene-3,20-dione, 21-fluoro-17-hydroxy-6-methylene-, acetate has 0 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 Pregn-4-ene-3,20-dione, 21-fluoro-17-hydroxy-6-methylene-, acetate?
The CAS number of Pregn-4-ene-3,20-dione, 21-fluoro-17-hydroxy-6-methylene-, acetate is 2414-52-0.
What is the molecular formula of Pregn-4-ene-3,20-dione, 21-fluoro-17-hydroxy-6-methylene-, acetate?
The molecular formula of Pregn-4-ene-3,20-dione, 21-fluoro-17-hydroxy-6-methylene-, acetate is C24H31FO4.
What is the molecular weight of Pregn-4-ene-3,20-dione, 21-fluoro-17-hydroxy-6-methylene-, acetate?
The molecular weight of Pregn-4-ene-3,20-dione, 21-fluoro-17-hydroxy-6-methylene-, acetate is 402.22 g/mol.
Where can I buy Pregn-4-ene-3,20-dione, 21-fluoro-17-hydroxy-6-methylene-, acetate?
You can request a quote for Pregn-4-ene-3,20-dione, 21-fluoro-17-hydroxy-6-methylene-, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pregn-4-ene-3,20-dione, 21-fluoro-17-hydroxy-6-methylene-, acetate?
Yes, KEHONG BIO provides custom synthesis services for Pregn-4-ene-3,20-dione, 21-fluoro-17-hydroxy-6-methylene-, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.