8-((3-chlorobenzyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-((3-chlorobenzyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 443737-40-4) is a chemical compound with molecular formula C14H13ClN4O2S and molecular weight 336.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(3-chlorophenyl)methylsulfanyl]-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 8-((3-chlorobenzyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, VU0610930-1, F3328-0013, 8-[(3-chlorophenyl)methylsulfanyl]-1,3-dimethyl-7H-purine-2,6-dione, 8-[(3-chlorobenzyl)sulfanyl]-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione
| Molecular Formula | C14H13ClN4O2S |
|---|---|
| Molecular Weight | 336.04 g/mol |
| LogP | 1.906 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.04477 |
| Heavy Atoms | 22 |
| Complexity | 973.1138 |
Chemical Identifiers
| CAS Number | 443737-40-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC3=CC(=CC=C3)Cl |
Product Overview
8-((3-chlorobenzyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 443737-40-4), with molecular formula C14H13ClN4O2S and molecular weight 336.04 g/mol. IUPAC: 8-[(3-chlorophenyl)methylsulfanyl]-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of 8-((3-chlorobenzyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-((3-chlorobenzyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.906 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-((3-chlorobenzyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((3-chlorobenzyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-((3-chlorobenzyl)thio)-1,3-dimethyl-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-((3-chlorobenzyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-((3-chlorobenzyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 443737-40-4.
What is the molecular formula of 8-((3-chlorobenzyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-((3-chlorobenzyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is C14H13ClN4O2S.
What is the molecular weight of 8-((3-chlorobenzyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-((3-chlorobenzyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 336.04 g/mol.
Where can I buy 8-((3-chlorobenzyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-((3-chlorobenzyl)thio)-1,3-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 8-((3-chlorobenzyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((3-chlorobenzyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.