6-alpha-Fluoro-17-alpha,21-dihydroxy-16-alpha-methylpregn-4-ene-3,20-dione
TL;DR: 6-alpha-Fluoro-17-alpha,21-dihydroxy-16-alpha-methylpregn-4-ene-3,20-dione (CAS 378-59-6) is a chemical compound with molecular formula C22H31FO4 and molecular weight 378.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S,8R,9S,10R,13S,14S,16R,17R)-6-fluoro-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: 6-alpha-Fluoro-17-alpha,21-dihydroxy-16-alpha-methylpregn-4-ene-3,20-dione, 6-, A-fluoro-17-, A,21-dihydroxy-16-, A-methylpregn-4-ene-3,20-dione
| Molecular Formula | C22H31FO4 |
|---|---|
| Molecular Weight | 378.22 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 378.22064 |
| Heavy Atoms | 27 |
| Complexity | 717.0 |
Chemical Identifiers
| CAS Number | 378-59-6 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)CC[C@@]4([C@H]3CC[C@@]2([C@]1(C(=O)CO)O)C)C)F |
| InChIKey | OWHJNSYSENMCSN-QPUULIFRSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-alpha-Fluoro-17-alpha,21-dihydroxy-16-alpha-methylpregn-4-ene-3,20-dione (CAS 378-59-6), with molecular formula C22H31FO4 and molecular weight 378.22 g/mol. IUPAC: (6S,8R,9S,10R,13S,14S,16R,17R)-6-fluoro-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 6-alpha-Fluoro-17-alpha,21-dihydroxy-16-alpha-methylpregn-4-ene-3,20-dione
Property Insights of 6-alpha-Fluoro-17-alpha,21-dihydroxy-16-alpha-methylpregn-4-ene-3,20-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-alpha-Fluoro-17-alpha,21-dihydroxy-16-alpha-methylpregn-4-ene-3,20-dione. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-alpha-Fluoro-17-alpha,21-dihydroxy-16-alpha-methylpregn-4-ene-3,20-dione. Following Lipinski's Rule of Five, 6-alpha-Fluoro-17-alpha,21-dihydroxy-16-alpha-methylpregn-4-ene-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 6-alpha-Fluoro-17-alpha,21-dihydroxy-16-alpha-methylpregn-4-ene-3,20-dione?
The CAS number of 6-alpha-Fluoro-17-alpha,21-dihydroxy-16-alpha-methylpregn-4-ene-3,20-dione is 378-59-6.
What is the molecular formula of 6-alpha-Fluoro-17-alpha,21-dihydroxy-16-alpha-methylpregn-4-ene-3,20-dione?
The molecular formula of 6-alpha-Fluoro-17-alpha,21-dihydroxy-16-alpha-methylpregn-4-ene-3,20-dione is C22H31FO4.
What is the molecular weight of 6-alpha-Fluoro-17-alpha,21-dihydroxy-16-alpha-methylpregn-4-ene-3,20-dione?
The molecular weight of 6-alpha-Fluoro-17-alpha,21-dihydroxy-16-alpha-methylpregn-4-ene-3,20-dione is 378.22 g/mol.
Where can I buy 6-alpha-Fluoro-17-alpha,21-dihydroxy-16-alpha-methylpregn-4-ene-3,20-dione?
You can request a quote for 6-alpha-Fluoro-17-alpha,21-dihydroxy-16-alpha-methylpregn-4-ene-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 6-alpha-Fluoro-17-alpha,21-dihydroxy-16-alpha-methylpregn-4-ene-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-alpha-Fluoro-17-alpha,21-dihydroxy-16-alpha-methylpregn-4-ene-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.