![7-(2-chlorobenzyl)-8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one structure](/static/products/862/862979-67-7.png)
7-(2-chlorobenzyl)-8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
TL;DR: 7-(2-chlorobenzyl)-8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one (CAS 862979-67-7) is a chemical compound with molecular formula C24H24Cl2N6O2 and molecular weight 498.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-methylpurine-2,6-dione
Also Known As: 7-(2-chlorobenzyl)-8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one, 7-(2-chlorobenzyl)-8-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-[(2-chlorophenyl)methyl]-8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-methylpurine-2,6-dione
| Molecular Formula | C24H24Cl2N6O2 |
|---|---|
| Molecular Weight | 498.13 g/mol |
| LogP | 3.1006 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 498.1338 |
| Heavy Atoms | 34 |
| Complexity | 1466.5875 |
Chemical Identifiers
| CAS Number | 862979-67-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)C4=CC(=CC=C4)Cl)CC5=CC=CC=C5Cl |
Product Overview
7-(2-chlorobenzyl)-8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one (CAS 862979-67-7), with molecular formula C24H24Cl2N6O2 and molecular weight 498.13 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-(2-chlorobenzyl)-8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Property Insights of 7-(2-chlorobenzyl)-8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
The XLogP value of 3.1006 indicates that 7-(2-chlorobenzyl)-8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-chlorobenzyl)-8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one. Following Lipinski's Rule of Five, 7-(2-chlorobenzyl)-8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one has 1 hydrogen bond donor(s) and 5 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-chlorobenzyl)-8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one?
The CAS number of 7-(2-chlorobenzyl)-8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one is 862979-67-7.
What is the molecular formula of 7-(2-chlorobenzyl)-8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one?
The molecular formula of 7-(2-chlorobenzyl)-8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one is C24H24Cl2N6O2.
What is the molecular weight of 7-(2-chlorobenzyl)-8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one?
The molecular weight of 7-(2-chlorobenzyl)-8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one is 498.13 g/mol.
Where can I buy 7-(2-chlorobenzyl)-8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one?
You can request a quote for 7-(2-chlorobenzyl)-8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-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 7-(2-chlorobenzyl)-8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-chlorobenzyl)-8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-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.