Isoflupredone Acetate
TL;DR: Isoflupredone Acetate (CAS 38615-38-2) is a chemical compound with molecular formula C23H29FO6 and molecular weight 420.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: ISOFLUPREDONE ACETATE, Predef, Biorinil, 9-Fluoroprednisolone acetate, Isoflupredone 21-acetate
| Molecular Formula | C23H29FO6 |
|---|---|
| Molecular Weight | 420.19 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.19482 |
| Heavy Atoms | 30 |
| Complexity | 879.0 |
Chemical Identifiers
| CAS Number | 38615-38-2 |
|---|---|
| SMILES | CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)O |
| InChIKey | ZOCUOMKMBMEYQV-GSLJADNHSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoflupredone Acetate (CAS 38615-38-2), with molecular formula C23H29FO6 and molecular weight 420.19 g/mol. IUPAC: [2-[(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
Chemical Property Profile of Isoflupredone Acetate
Property Insights of Isoflupredone Acetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoflupredone Acetate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoflupredone Acetate. Following Lipinski's Rule of Five, Isoflupredone Acetate has 2 hydrogen bond donor(s) and 7 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 Isoflupredone Acetate?
The CAS number of Isoflupredone Acetate is 38615-38-2.
What is the molecular formula of Isoflupredone Acetate?
The molecular formula of Isoflupredone Acetate is C23H29FO6.
What is the molecular weight of Isoflupredone Acetate?
The molecular weight of Isoflupredone Acetate is 420.19 g/mol.
Where can I buy Isoflupredone Acetate?
You can request a quote for Isoflupredone Acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoflupredone Acetate?
Yes, KEHONG BIO provides custom synthesis services for Isoflupredone Acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.