(6alpha,11beta)-6,9-Difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione
TL;DR: (6alpha,11beta)-6,9-Difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione (CAS 806-29-1) is a chemical compound with molecular formula C21H26F2O5 and molecular weight 396.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S,8S,9R,10S,11S,13S,14S,17R)-6,9-difluoro-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: 6-alpha-Fluoro-isoflupredone, 6a-Fluoro-isoflupredone, Difluprednate Impurity 2, 6alpha,9alpha-difluoroprednisolone, A-Fluoro-isoflupredone
| Molecular Formula | C21H26F2O5 |
|---|---|
| Molecular Weight | 396.17 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 396.17484 |
| Heavy Atoms | 28 |
| Complexity | 809.0 |
Chemical Identifiers
| CAS Number | 806-29-1 |
|---|---|
| SMILES | C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O |
| InChIKey | ABUISBDTYAZRHY-RBKZJGKHSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(6alpha,11beta)-6,9-Difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione (CAS 806-29-1), with molecular formula C21H26F2O5 and molecular weight 396.17 g/mol. IUPAC: (6S,8S,9R,10S,11S,13S,14S,17R)-6,9-difluoro-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 (6alpha,11beta)-6,9-Difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione
Property Insights of (6alpha,11beta)-6,9-Difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6alpha,11beta)-6,9-Difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (6alpha,11beta)-6,9-Difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione. Following Lipinski's Rule of Five, (6alpha,11beta)-6,9-Difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione has 3 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 (6alpha,11beta)-6,9-Difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione?
The CAS number of (6alpha,11beta)-6,9-Difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione is 806-29-1.
What is the molecular formula of (6alpha,11beta)-6,9-Difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione?
The molecular formula of (6alpha,11beta)-6,9-Difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione is C21H26F2O5.
What is the molecular weight of (6alpha,11beta)-6,9-Difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione?
The molecular weight of (6alpha,11beta)-6,9-Difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione is 396.17 g/mol.
Where can I buy (6alpha,11beta)-6,9-Difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione?
You can request a quote for (6alpha,11beta)-6,9-Difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6alpha,11beta)-6,9-Difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for (6alpha,11beta)-6,9-Difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.