![7-(4-chlorobenzyl)-8-[(4-chlorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/536/536719-47-8.png)
7-(4-chlorobenzyl)-8-[(4-chlorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-(4-chlorobenzyl)-8-[(4-chlorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 536719-47-8) is a chemical compound with molecular formula C21H18Cl2N4O2S and molecular weight 460.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-chlorophenyl)methyl]-8-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(4-chlorobenzyl)-8-[(4-chlorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-(4-Chloro-benzyl)-8-(4-chloro-benzylsulfanyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione, 7-(4-chlorobenzyl)-8-((4-chlorobenzyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-[(4-chlorophenyl)methyl]-8-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C21H18Cl2N4O2S |
|---|---|
| Molecular Weight | 460.05 g/mol |
| LogP | 4.0811 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.05276 |
| Heavy Atoms | 30 |
| Complexity | 1339.4271 |
Chemical Identifiers
| CAS Number | 536719-47-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)Cl |
Product Overview
7-(4-chlorobenzyl)-8-[(4-chlorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 536719-47-8), with molecular formula C21H18Cl2N4O2S and molecular weight 460.05 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-8-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-(4-chlorobenzyl)-8-[(4-chlorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-(4-chlorobenzyl)-8-[(4-chlorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 4.0811 indicates that 7-(4-chlorobenzyl)-8-[(4-chlorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(4-chlorobenzyl)-8-[(4-chlorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-(4-chlorobenzyl)-8-[(4-chlorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione has 0 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-(4-chlorobenzyl)-8-[(4-chlorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-(4-chlorobenzyl)-8-[(4-chlorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 536719-47-8.
What is the molecular formula of 7-(4-chlorobenzyl)-8-[(4-chlorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-(4-chlorobenzyl)-8-[(4-chlorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is C21H18Cl2N4O2S.
What is the molecular weight of 7-(4-chlorobenzyl)-8-[(4-chlorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-(4-chlorobenzyl)-8-[(4-chlorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 460.05 g/mol.
Where can I buy 7-(4-chlorobenzyl)-8-[(4-chlorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-(4-chlorobenzyl)-8-[(4-chlorobenzyl)sulfanyl]-1,3-dimethyl-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-(4-chlorobenzyl)-8-[(4-chlorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(4-chlorobenzyl)-8-[(4-chlorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.