Pregna-1,4-diene-3,11,20-trione, 21-(fluoro-18F)-17-hydroxy-
TL;DR: Pregna-1,4-diene-3,11,20-trione, 21-(fluoro-18F)-17-hydroxy- (CAS 110558-69-5) is a chemical compound with molecular formula C21H25FO4 and molecular weight 359.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,10R,13S,14S,17R)-17-(2-(18F)fluoroacetyl)-17-hydroxy-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione
Also Known As: 21-Fluoroprednisone, 21-(Fluoro-18F)-17-hydroxypregna-1,4-diene-3,11,20-trione, Pregna-1,4-diene-3,11,20-trione, 21-(fluoro-18F)-17-hydroxy-, (8S,9S,10R,13S,14S,17R)-17-(2-(18F)fluoranylacetyl)-17-hydroxy-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione, 21-(~18~F)Fluoro-17-hydroxypregna-1,4-diene-3,11,20-trione
| Molecular Formula | C21H25FO4 |
|---|---|
| Molecular Weight | 359.18 g/mol |
| LogP | 2.743 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 359.1762 |
| Heavy Atoms | 26 |
| Complexity | 767.9728 |
Chemical Identifiers
| CAS Number | 110558-69-5 |
|---|---|
| SMILES | C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)C[18F])O)CCC4=CC(=O)C=C[C@]34C |
Product Overview
Pregna-1,4-diene-3,11,20-trione, 21-(fluoro-18F)-17-hydroxy- (CAS 110558-69-5), with molecular formula C21H25FO4 and molecular weight 359.18 g/mol. IUPAC: (8S,9S,10R,13S,14S,17R)-17-(2-(18F)fluoroacetyl)-17-hydroxy-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione.
Chemical Property Profile of Pregna-1,4-diene-3,11,20-trione, 21-(fluoro-18F)-17-hydroxy-
Property Insights of Pregna-1,4-diene-3,11,20-trione, 21-(fluoro-18F)-17-hydroxy-
The XLogP value of 2.743 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pregna-1,4-diene-3,11,20-trione, 21-(fluoro-18F)-17-hydroxy-. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Pregna-1,4-diene-3,11,20-trione, 21-(fluoro-18F)-17-hydroxy-. Following Lipinski's Rule of Five, Pregna-1,4-diene-3,11,20-trione, 21-(fluoro-18F)-17-hydroxy- has 1 hydrogen bond donor(s) and 4 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 Pregna-1,4-diene-3,11,20-trione, 21-(fluoro-18F)-17-hydroxy-?
The CAS number of Pregna-1,4-diene-3,11,20-trione, 21-(fluoro-18F)-17-hydroxy- is 110558-69-5.
What is the molecular formula of Pregna-1,4-diene-3,11,20-trione, 21-(fluoro-18F)-17-hydroxy-?
The molecular formula of Pregna-1,4-diene-3,11,20-trione, 21-(fluoro-18F)-17-hydroxy- is C21H25FO4.
What is the molecular weight of Pregna-1,4-diene-3,11,20-trione, 21-(fluoro-18F)-17-hydroxy-?
The molecular weight of Pregna-1,4-diene-3,11,20-trione, 21-(fluoro-18F)-17-hydroxy- is 359.18 g/mol.
Where can I buy Pregna-1,4-diene-3,11,20-trione, 21-(fluoro-18F)-17-hydroxy-?
You can request a quote for Pregna-1,4-diene-3,11,20-trione, 21-(fluoro-18F)-17-hydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pregna-1,4-diene-3,11,20-trione, 21-(fluoro-18F)-17-hydroxy-?
Yes, KEHONG BIO provides custom synthesis services for Pregna-1,4-diene-3,11,20-trione, 21-(fluoro-18F)-17-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.