9beta,11beta-Epoxy-6beta-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione
TL;DR: 9beta,11beta-Epoxy-6beta-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione (CAS 60864-43-9) is a chemical compound with molecular formula C21H25FO5 and molecular weight 376.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,8R,10S,11S,14R,15S)-8-fluoro-14-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one
Also Known As: EINECS 262-483-6, 9beta,11beta-Epoxy-6beta-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione, 6-Fluoro-17,21-dihydroxy-9,11-epoxypregna-1,4-diene-3,20-dione, (9xi)-6beta-Fluoro-17,21-dihydroxy-9,11-epoxypregna-1,4-diene-3,20-dione
| Molecular Formula | C21H25FO5 |
|---|---|
| Molecular Weight | 376.17 g/mol |
| LogP | 1.6661 |
| Topological Polar Surface Area | 87.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 376.1686 |
| Heavy Atoms | 27 |
| Complexity | 819.3896 |
Chemical Identifiers
| CAS Number | 60864-43-9 |
|---|---|
| SMILES | C[C@]12CC3C4(O3)[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C[C@H](C5=CC(=O)C=C[C@]45C)F |
Product Overview
9beta,11beta-Epoxy-6beta-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione (CAS 60864-43-9), with molecular formula C21H25FO5 and molecular weight 376.17 g/mol. IUPAC: (2S,8R,10S,11S,14R,15S)-8-fluoro-14-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one.
Chemical Property Profile of 9beta,11beta-Epoxy-6beta-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione
Property Insights of 9beta,11beta-Epoxy-6beta-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione
The XLogP value of 1.6661 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9beta,11beta-Epoxy-6beta-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione. The TPSA of 87.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 9beta,11beta-Epoxy-6beta-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione. Following Lipinski's Rule of Five, 9beta,11beta-Epoxy-6beta-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione has 2 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 9beta,11beta-Epoxy-6beta-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione?
The CAS number of 9beta,11beta-Epoxy-6beta-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione is 60864-43-9.
What is the molecular formula of 9beta,11beta-Epoxy-6beta-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione?
The molecular formula of 9beta,11beta-Epoxy-6beta-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione is C21H25FO5.
What is the molecular weight of 9beta,11beta-Epoxy-6beta-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione?
The molecular weight of 9beta,11beta-Epoxy-6beta-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione is 376.17 g/mol.
Where can I buy 9beta,11beta-Epoxy-6beta-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione?
You can request a quote for 9beta,11beta-Epoxy-6beta-fluoro-17,21-dihydroxypregna-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 9beta,11beta-Epoxy-6beta-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for 9beta,11beta-Epoxy-6beta-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.