1,3-dimethyl-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione
TL;DR: 1,3-dimethyl-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione (CAS 443675-16-9) is a chemical compound with molecular formula C15H16N4O2S and molecular weight 316.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8-[(4-methylphenyl)methylsulfanyl]-7H-purine-2,6-dione
Also Known As: US12491188, Compound LPF-I-64-1, 1,3-dimethyl-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione, AB00675798-01, F3328-0014, 1,3-dimethyl-8-[(4-methylphenyl)methylsulfanyl]-7H-purine-2,6-dione
| Molecular Formula | C15H16N4O2S |
|---|---|
| Molecular Weight | 316.10 g/mol |
| LogP | 1.56102 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.0994 |
| Heavy Atoms | 22 |
| Complexity | 950.5634 |
Chemical Identifiers
| CAS Number | 443675-16-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NC3=C(N2)C(=O)N(C(=O)N3C)C |
Product Overview
1,3-dimethyl-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione (CAS 443675-16-9), with molecular formula C15H16N4O2S and molecular weight 316.10 g/mol. IUPAC: 1,3-dimethyl-8-[(4-methylphenyl)methylsulfanyl]-7H-purine-2,6-dione.
Chemical Property Profile of 1,3-dimethyl-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione
Property Insights of 1,3-dimethyl-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.56102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 1,3-dimethyl-8-((4-methylbenzyl)thio)-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 1,3-dimethyl-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 1,3-dimethyl-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione is 443675-16-9.
What is the molecular formula of 1,3-dimethyl-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 1,3-dimethyl-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione is C15H16N4O2S.
What is the molecular weight of 1,3-dimethyl-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 1,3-dimethyl-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione is 316.10 g/mol.
Where can I buy 1,3-dimethyl-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 1,3-dimethyl-8-((4-methylbenzyl)thio)-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 1,3-dimethyl-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.