7-benzyl-2-chloro-1-methyl-1,7-dihydro-6H-purin-6-one
TL;DR: 7-benzyl-2-chloro-1-methyl-1,7-dihydro-6H-purin-6-one (CAS 140379-24-4) is a chemical compound with molecular formula C13H11ClN4O and molecular weight 274.06213 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-benzyl-2-chloro-1-methylpurin-6-one
Also Known As: 7-benzyl-2-chloro-1-methylpurin-6-one, 7-benzyl-2-chloro-1-methyl-purin-6-one, 7-benzyl-2-chloro-1-methyl-1,7-dihydro-6H-purin-6-one, 7-benzyl-2-chloro-1-methyl-6,7-dihydro-1H-purin-6-one, 2-Chloro-1-methyl-7-(phenylmethyl)purin-6-one
Technical Specifications
| Molecular Formula | C13H11ClN4O |
| Molecular Weight | 274.06213 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 50.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.06213 Da |
| Heavy Atoms | 19 |
| Complexity | 394.0 |
| SMILES | CN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N=C1Cl |
| InChIKey | FHJHVHCVYRREAY-UHFFFAOYSA-N |
Chemical Property Profile of 7-benzyl-2-chloro-1-methyl-1,7-dihydro-6H-purin-6-one
Property Insights of 7-benzyl-2-chloro-1-methyl-1,7-dihydro-6H-purin-6-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-benzyl-2-chloro-1-methyl-1,7-dihydro-6H-purin-6-one. With a topological polar surface area (TPSA) of 50.5 Ų, 7-benzyl-2-chloro-1-methyl-1,7-dihydro-6H-purin-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-benzyl-2-chloro-1-methyl-1,7-dihydro-6H-purin-6-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 7-benzyl-2-chloro-1-methyl-1,7-dihydro-6H-purin-6-one?
The CAS number of 7-benzyl-2-chloro-1-methyl-1,7-dihydro-6H-purin-6-one is 140379-24-4.
What is the molecular formula of 7-benzyl-2-chloro-1-methyl-1,7-dihydro-6H-purin-6-one?
The molecular formula of 7-benzyl-2-chloro-1-methyl-1,7-dihydro-6H-purin-6-one is C13H11ClN4O.
What is the molecular weight of 7-benzyl-2-chloro-1-methyl-1,7-dihydro-6H-purin-6-one?
The molecular weight of 7-benzyl-2-chloro-1-methyl-1,7-dihydro-6H-purin-6-one is 274.06213 g/mol.
Where can I buy 7-benzyl-2-chloro-1-methyl-1,7-dihydro-6H-purin-6-one?
You can request a quote for 7-benzyl-2-chloro-1-methyl-1,7-dihydro-6H-purin-6-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-benzyl-2-chloro-1-methyl-1,7-dihydro-6H-purin-6-one?
Yes, CoreyChem provides custom synthesis services for 7-benzyl-2-chloro-1-methyl-1,7-dihydro-6H-purin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.