8-((4-chlorobenzyl)thio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-((4-chlorobenzyl)thio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione (CAS 313395-99-2) is a chemical compound with molecular formula C21H19ClN4O2S and molecular weight 426.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(4-chlorophenyl)methylsulfanyl]-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione
Also Known As: BAS 01122473, 8-((4-chlorobenzyl)thio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione, AB00131492-02, F0374-0002, 8-[(4-chlorobenzyl)sulfanyl]-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C21H19ClN4O2S |
|---|---|
| Molecular Weight | 426.09 g/mol |
| LogP | 3.72572 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.09174 |
| Heavy Atoms | 29 |
| Complexity | 1287.9982 |
Chemical Identifiers
| CAS Number | 313395-99-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=C(N=C2SCC4=CC=C(C=C4)Cl)N(C(=O)NC3=O)C |
Product Overview
8-((4-chlorobenzyl)thio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione (CAS 313395-99-2), with molecular formula C21H19ClN4O2S and molecular weight 426.09 g/mol. IUPAC: 8-[(4-chlorophenyl)methylsulfanyl]-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione.
Chemical Property Profile of 8-((4-chlorobenzyl)thio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-((4-chlorobenzyl)thio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 3.72572 indicates that 8-((4-chlorobenzyl)thio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((4-chlorobenzyl)thio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-((4-chlorobenzyl)thio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione has 1 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 8-((4-chlorobenzyl)thio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-((4-chlorobenzyl)thio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione is 313395-99-2.
What is the molecular formula of 8-((4-chlorobenzyl)thio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-((4-chlorobenzyl)thio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione is C21H19ClN4O2S.
What is the molecular weight of 8-((4-chlorobenzyl)thio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-((4-chlorobenzyl)thio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione is 426.09 g/mol.
Where can I buy 8-((4-chlorobenzyl)thio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-((4-chlorobenzyl)thio)-3-methyl-7-(4-methylbenzyl)-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 8-((4-chlorobenzyl)thio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((4-chlorobenzyl)thio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.