1-(4-chlorobenzyl)-8-((4-chlorophenyl)thio)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 1-(4-chlorobenzyl)-8-((4-chlorophenyl)thio)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 573974-40-0) is a chemical compound with molecular formula C20H16Cl2N4O2S and molecular weight 446.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methyl]-8-(4-chlorophenyl)sulfanyl-3,7-dimethylpurine-2,6-dione
Also Known As: 1-(4-chlorobenzyl)-8-((4-chlorophenyl)thio)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, 1-[(4-chlorophenyl)methyl]-8-(4-chlorophenyl)sulfanyl-3,7-dimethyl-purine-2,6-dione, 1-[(4-chlorophenyl)methyl]-8-(4-chlorophenyl)sulfanyl-3,7-dimethylpurine-2,6-dione, 1-(4-chlorobenzyl)-8-[(4-chlorophenyl)sulfanyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C20H16Cl2N4O2S |
|---|---|
| Molecular Weight | 446.04 g/mol |
| LogP | 3.94 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.0371 |
| Heavy Atoms | 29 |
| Complexity | 1322.588 |
Chemical Identifiers
| CAS Number | 573974-40-0 |
|---|---|
| SMILES | CN1C2=C(N=C1SC3=CC=C(C=C3)Cl)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Cl)C |
Product Overview
1-(4-chlorobenzyl)-8-((4-chlorophenyl)thio)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 573974-40-0), with molecular formula C20H16Cl2N4O2S and molecular weight 446.04 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-8-(4-chlorophenyl)sulfanyl-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of 1-(4-chlorobenzyl)-8-((4-chlorophenyl)thio)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 1-(4-chlorobenzyl)-8-((4-chlorophenyl)thio)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 3.94 indicates that 1-(4-chlorobenzyl)-8-((4-chlorophenyl)thio)-3,7-dimethyl-1H-purine-2,6(3H,7H)-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 1-(4-chlorobenzyl)-8-((4-chlorophenyl)thio)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 1-(4-chlorobenzyl)-8-((4-chlorophenyl)thio)-3,7-dimethyl-1H-purine-2,6(3H,7H)-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 1-(4-chlorobenzyl)-8-((4-chlorophenyl)thio)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 1-(4-chlorobenzyl)-8-((4-chlorophenyl)thio)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is 573974-40-0.
What is the molecular formula of 1-(4-chlorobenzyl)-8-((4-chlorophenyl)thio)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 1-(4-chlorobenzyl)-8-((4-chlorophenyl)thio)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is C20H16Cl2N4O2S.
What is the molecular weight of 1-(4-chlorobenzyl)-8-((4-chlorophenyl)thio)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 1-(4-chlorobenzyl)-8-((4-chlorophenyl)thio)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is 446.04 g/mol.
Where can I buy 1-(4-chlorobenzyl)-8-((4-chlorophenyl)thio)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 1-(4-chlorobenzyl)-8-((4-chlorophenyl)thio)-3,7-dimethyl-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 1-(4-chlorobenzyl)-8-((4-chlorophenyl)thio)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorobenzyl)-8-((4-chlorophenyl)thio)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.