7-(2-fluorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-(2-fluorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 492997-82-7) 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.
7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione
Also Known As: ChemDiv2_004500, IDI1_003215, 7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione, 7-(2-fluorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione, AO-343/37358021
| Molecular Formula | C13H11FN4O2 |
|---|---|
| Molecular Weight | 274.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.0866 |
| Heavy Atoms | 20 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 492997-82-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C=N2)CC3=CC=CC=C3F |
| InChIKey | PCXHJHGEECZDAN-UHFFFAOYSA-N |
Product Overview
7-(2-fluorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 492997-82-7), with molecular formula C13H11FN4O2 and molecular weight 274.09 g/mol. IUPAC: 7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-(2-fluorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-(2-fluorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-fluorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-fluorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-(2-fluorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione 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 7-(2-fluorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-(2-fluorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 492997-82-7.
What is the molecular formula of 7-(2-fluorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-(2-fluorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is C13H11FN4O2.
What is the molecular weight of 7-(2-fluorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-(2-fluorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 274.09 g/mol.
Where can I buy 7-(2-fluorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-(2-fluorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(2-fluorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-fluorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.