Isoflupredona
TL;DR: Isoflupredona (CAS 338-95-4) is a chemical compound with molecular formula C21H27FO5 and molecular weight 378.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9R,11S)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Also Known As: Isoflupredona, Isoflupredonum, 9-Fluoroprednisolone, ISOFLUPREDONE, delta-Fluorocortisone
| Molecular Formula | C21H27FO5 |
|---|---|
| Molecular Weight | 378.18 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 378.18427 |
| Heavy Atoms | 27 |
| Complexity | 775.0 |
Chemical Identifiers
| CAS Number | 338-95-4 |
|---|---|
| SMILES | CC12C[C@@H]([C@]3(C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC43C)F)O |
| InChIKey | WAIJIHDWAKJCBX-QVABZINDSA-N |
Product Overview
Isoflupredona (CAS 338-95-4), with molecular formula C21H27FO5 and molecular weight 378.18 g/mol. IUPAC: (9R,11S)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Isoflupredona
Property Insights of Isoflupredona
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoflupredona. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoflupredona. Following Lipinski's Rule of Five, Isoflupredona has 3 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 Isoflupredona?
The CAS number of Isoflupredona is 338-95-4.
What is the molecular formula of Isoflupredona?
The molecular formula of Isoflupredona is C21H27FO5.
What is the molecular weight of Isoflupredona?
The molecular weight of Isoflupredona is 378.18 g/mol.
Where can I buy Isoflupredona?
You can request a quote for Isoflupredona directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoflupredona?
Yes, KEHONG BIO provides custom synthesis services for Isoflupredona and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.