6beta,9-Difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione
TL;DR: 6beta,9-Difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione (CAS 60864-55-3) 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.
(6R,8S,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: EINECS 262-494-6, 6beta,9-Difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione, 6,9-Difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione, (9xi)-6beta,9-Difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione, Pregna-1,4-diene-3,20-dione,6,9-difluoro-11,17,21-trihydroxy-, (6b,11b)- (9CI)
| Molecular Formula | C21H26F2O5 |
|---|---|
| Molecular Weight | 396.17 g/mol |
| LogP | 1.5977 |
| Topological Polar Surface Area | 94.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 396.17484 |
| Heavy Atoms | 28 |
| Complexity | 808.6177 |
Chemical Identifiers
| CAS Number | 60864-55-3 |
|---|---|
| SMILES | C[C@]12C[C@@H](C3([C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C[C@H](C4=CC(=O)C=C[C@@]43C)F)F)O |
Product Overview
6beta,9-Difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione (CAS 60864-55-3), with molecular formula C21H26F2O5 and molecular weight 396.17 g/mol. IUPAC: (6R,8S,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 6beta,9-Difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione
Property Insights of 6beta,9-Difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione
The XLogP value of 1.5977 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6beta,9-Difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione. The TPSA of 94.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 6beta,9-Difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione. Following Lipinski's Rule of Five, 6beta,9-Difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione has 3 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 6beta,9-Difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione?
The CAS number of 6beta,9-Difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione is 60864-55-3.
What is the molecular formula of 6beta,9-Difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione?
The molecular formula of 6beta,9-Difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione is C21H26F2O5.
What is the molecular weight of 6beta,9-Difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione?
The molecular weight of 6beta,9-Difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione is 396.17 g/mol.
Where can I buy 6beta,9-Difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione?
You can request a quote for 6beta,9-Difluoro-11beta,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 6beta,9-Difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for 6beta,9-Difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.