8-bromo-7-(2-fluorobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
TL;DR: 8-bromo-7-(2-fluorobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one (CAS 614732-68-2) is a chemical compound with molecular formula C13H10BrFN4O2 and molecular weight 352.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione
Also Known As: 8-bromo-7-(2-fluorobenzyl)-3-methyl-1h-purine-2,6(3h,7h)-dione, 8-bromo-7-(2-fluorobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one, 8-bromo-7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione
| Molecular Formula | C13H10BrFN4O2 |
|---|---|
| Molecular Weight | 352.00 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 351.99713 |
| Heavy Atoms | 21 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 614732-68-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC3=CC=CC=C3F |
| InChIKey | UTDVXMWARCWFFW-UHFFFAOYSA-N |
Product Overview
8-bromo-7-(2-fluorobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one (CAS 614732-68-2), with molecular formula C13H10BrFN4O2 and molecular weight 352.00 g/mol. IUPAC: 8-bromo-7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-bromo-7-(2-fluorobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Property Insights of 8-bromo-7-(2-fluorobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-bromo-7-(2-fluorobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-bromo-7-(2-fluorobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one. Following Lipinski's Rule of Five, 8-bromo-7-(2-fluorobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one 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 8-bromo-7-(2-fluorobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one?
The CAS number of 8-bromo-7-(2-fluorobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one is 614732-68-2.
What is the molecular formula of 8-bromo-7-(2-fluorobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one?
The molecular formula of 8-bromo-7-(2-fluorobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one is C13H10BrFN4O2.
What is the molecular weight of 8-bromo-7-(2-fluorobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one?
The molecular weight of 8-bromo-7-(2-fluorobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one is 352.00 g/mol.
Where can I buy 8-bromo-7-(2-fluorobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one?
You can request a quote for 8-bromo-7-(2-fluorobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-bromo-7-(2-fluorobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 8-bromo-7-(2-fluorobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.