7-(2-chlorobenzyl)-8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(2-chlorobenzyl)-8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 442864-47-3) is a chemical compound with molecular formula C23H22Cl2N6O2 and molecular weight 484.12 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]-3-methylpurine-2,6-dione
Also Known As: 7-(2-chlorobenzyl)-8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione, F1191-0030, 7-[(2-chlorophenyl)methyl]-8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpurine-2,6-dione, 7-[(2-chlorophenyl)methyl]-8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-(2-chlorobenzyl)-8-[4-(3-chlorophenyl)-1-piperazinyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C23H22Cl2N6O2 |
|---|---|
| Molecular Weight | 484.12 g/mol |
| LogP | 3.105 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 484.11813 |
| Heavy Atoms | 33 |
| Complexity | 1449.6018 |
Chemical Identifiers
| CAS Number | 442864-47-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)CC5=CC=CC=C5Cl |
Product Overview
7-(2-chlorobenzyl)-8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 442864-47-3), with molecular formula C23H22Cl2N6O2 and molecular weight 484.12 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-(2-chlorobenzyl)-8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(2-chlorobenzyl)-8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 3.105 indicates that 7-(2-chlorobenzyl)-8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione 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)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(2-chlorobenzyl)-8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione 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)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(2-chlorobenzyl)-8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 442864-47-3.
What is the molecular formula of 7-(2-chlorobenzyl)-8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(2-chlorobenzyl)-8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione is C23H22Cl2N6O2.
What is the molecular weight of 7-(2-chlorobenzyl)-8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(2-chlorobenzyl)-8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 484.12 g/mol.
Where can I buy 7-(2-chlorobenzyl)-8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(2-chlorobenzyl)-8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-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-chlorobenzyl)-8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-chlorobenzyl)-8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.