Pregn-4-ene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-2-methyl-, (11beta)-
TL;DR: Pregn-4-ene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-2-methyl-, (11beta)- (CAS 382-59-2) 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.
(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-2,10,13-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Also Known As: 2-methylfludrocortisone, 2-methyl-9, A-fluorocortisol, 2-Methyl-9alpha-fluorocortisol, 2-Methyl-9-fluorohydrocortisone
| Molecular Formula | C22H31FO5 |
|---|---|
| Molecular Weight | 394.22 g/mol |
| LogP | 2.2 |
| 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 | 764.0 |
Chemical Identifiers
| CAS Number | 382-59-2 |
|---|---|
| SMILES | CC1C[C@]2(C(=CC1=O)CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)F)C |
| InChIKey | YUCOGNZKLOYCGL-NILRIRHTSA-N |
Product Overview
Pregn-4-ene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-2-methyl-, (11beta)- (CAS 382-59-2), with molecular formula C22H31FO5 and molecular weight 394.22 g/mol. IUPAC: (8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-2,10,13-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Pregn-4-ene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-2-methyl-, (11beta)-
Property Insights of Pregn-4-ene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-2-methyl-, (11beta)-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pregn-4-ene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-2-methyl-, (11beta)-. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Pregn-4-ene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-2-methyl-, (11beta)-. Following Lipinski's Rule of Five, Pregn-4-ene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-2-methyl-, (11beta)- 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 Pregn-4-ene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-2-methyl-, (11beta)-?
The CAS number of Pregn-4-ene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-2-methyl-, (11beta)- is 382-59-2.
What is the molecular formula of Pregn-4-ene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-2-methyl-, (11beta)-?
The molecular formula of Pregn-4-ene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-2-methyl-, (11beta)- is C22H31FO5.
What is the molecular weight of Pregn-4-ene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-2-methyl-, (11beta)-?
The molecular weight of Pregn-4-ene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-2-methyl-, (11beta)- is 394.22 g/mol.
Where can I buy Pregn-4-ene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-2-methyl-, (11beta)-?
You can request a quote for Pregn-4-ene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-2-methyl-, (11beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pregn-4-ene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-2-methyl-, (11beta)-?
Yes, KEHONG BIO provides custom synthesis services for Pregn-4-ene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-2-methyl-, (11beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.