1,3-Dimethyl-8-(2-fluorophenyl)xanthine
TL;DR: 1,3-Dimethyl-8-(2-fluorophenyl)xanthine (CAS 85872-56-6) is a chemical compound with molecular formula C13H11FN4O2 and molecular weight 274.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-fluorophenyl)-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 1,3-Dimethyl-8-(2-fluorophenyl)xanthine, 8-(2-Fluorophenyl)-1,3-dimethylxanthine, 8-(2-fluorophenyl)-1,3-dimethyl-7H-purine-2,6-dione, 8-(2-Fluoro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione, 8-(2-fluorophenyl)-1,3-dimethyl-1,3-dihydropurine-2,6-dione
| Molecular Formula | C13H11FN4O2 |
|---|---|
| Molecular Weight | 274.09 g/mol |
| LogP | 0.7664 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 274.0866 |
| Heavy Atoms | 20 |
| Complexity | 935.6746 |
Chemical Identifiers
| CAS Number | 85872-56-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=CC=C3F |
Product Overview
1,3-Dimethyl-8-(2-fluorophenyl)xanthine (CAS 85872-56-6), with molecular formula C13H11FN4O2 and molecular weight 274.09 g/mol. IUPAC: 8-(2-fluorophenyl)-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of 1,3-Dimethyl-8-(2-fluorophenyl)xanthine
Property Insights of 1,3-Dimethyl-8-(2-fluorophenyl)xanthine
The XLogP value of 0.7664 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl-8-(2-fluorophenyl)xanthine. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl-8-(2-fluorophenyl)xanthine. Following Lipinski's Rule of Five, 1,3-Dimethyl-8-(2-fluorophenyl)xanthine has 1 hydrogen bond donor(s) and 3 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 1,3-Dimethyl-8-(2-fluorophenyl)xanthine?
The CAS number of 1,3-Dimethyl-8-(2-fluorophenyl)xanthine is 85872-56-6.
What is the molecular formula of 1,3-Dimethyl-8-(2-fluorophenyl)xanthine?
The molecular formula of 1,3-Dimethyl-8-(2-fluorophenyl)xanthine is C13H11FN4O2.
What is the molecular weight of 1,3-Dimethyl-8-(2-fluorophenyl)xanthine?
The molecular weight of 1,3-Dimethyl-8-(2-fluorophenyl)xanthine is 274.09 g/mol.
Where can I buy 1,3-Dimethyl-8-(2-fluorophenyl)xanthine?
You can request a quote for 1,3-Dimethyl-8-(2-fluorophenyl)xanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-8-(2-fluorophenyl)xanthine?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-8-(2-fluorophenyl)xanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.