6-Fluoro-11,17,21-trihydroxy-16-methylpregn-4-ene-3,20-dione
TL;DR: 6-Fluoro-11,17,21-trihydroxy-16-methylpregn-4-ene-3,20-dione (CAS 40616-92-0) is a chemical compound with molecular formula C22H31FO5 and molecular weight 394.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S,16R,17R)-6-fluoro-11,17-dihydroxy-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: PP1 Analog II, 1NM-PP1, KST-1A4638, 6-Fluoro-11,17,21-trihydroxy-16-methylpregn-4-ene-3,20-dione, (6, A,8xi,9xi,10xi,13xi,14xi,16
| Molecular Formula | C22H31FO5 |
|---|---|
| Molecular Weight | 394.22 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 394.21555 |
| Heavy Atoms | 28 |
| Complexity | 749.0 |
Chemical Identifiers
| CAS Number | 40616-92-0 |
|---|---|
| SMILES | C[C@@H]1CC2C3C[C@@H](C4=CC(=O)CCC4(C3C(CC2([C@]1(C(=O)CO)O)C)O)C)F |
| InChIKey | JXOONFORBFAKIN-KTTHZPTNSA-N |
Product Overview
6-Fluoro-11,17,21-trihydroxy-16-methylpregn-4-ene-3,20-dione (CAS 40616-92-0), with molecular formula C22H31FO5 and molecular weight 394.22 g/mol. IUPAC: (6S,16R,17R)-6-fluoro-11,17-dihydroxy-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-Fluoro-11,17,21-trihydroxy-16-methylpregn-4-ene-3,20-dione
Property Insights of 6-Fluoro-11,17,21-trihydroxy-16-methylpregn-4-ene-3,20-dione
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Fluoro-11,17,21-trihydroxy-16-methylpregn-4-ene-3,20-dione. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Fluoro-11,17,21-trihydroxy-16-methylpregn-4-ene-3,20-dione. Following Lipinski's Rule of Five, 6-Fluoro-11,17,21-trihydroxy-16-methylpregn-4-ene-3,20-dione 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 6-Fluoro-11,17,21-trihydroxy-16-methylpregn-4-ene-3,20-dione?
The CAS number of 6-Fluoro-11,17,21-trihydroxy-16-methylpregn-4-ene-3,20-dione is 40616-92-0.
What is the molecular formula of 6-Fluoro-11,17,21-trihydroxy-16-methylpregn-4-ene-3,20-dione?
The molecular formula of 6-Fluoro-11,17,21-trihydroxy-16-methylpregn-4-ene-3,20-dione is C22H31FO5.
What is the molecular weight of 6-Fluoro-11,17,21-trihydroxy-16-methylpregn-4-ene-3,20-dione?
The molecular weight of 6-Fluoro-11,17,21-trihydroxy-16-methylpregn-4-ene-3,20-dione is 394.22 g/mol.
Where can I buy 6-Fluoro-11,17,21-trihydroxy-16-methylpregn-4-ene-3,20-dione?
You can request a quote for 6-Fluoro-11,17,21-trihydroxy-16-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-Fluoro-11,17,21-trihydroxy-16-methylpregn-4-ene-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-Fluoro-11,17,21-trihydroxy-16-methylpregn-4-ene-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.