6-(((3,4-Dimethylphenyl)methyl)thio)-9H-purine
TL;DR: 6-(((3,4-Dimethylphenyl)methyl)thio)-9H-purine (CAS 82499-09-0) is a chemical compound with molecular formula C14H14N4S and molecular weight 270.0939 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[(3,4-dimethylphenyl)methylsulfanyl]-7H-purine
Also Known As: Purine, 6-((3,4-dimethylbenzyl)thio)-, 6-((3,4-Dimethylbenzyl)thio)purine, 6-(((3,4-Dimethylphenyl)methyl)thio)purine, 6-[(3,4-dimethylbenzyl)sulfanyl]-7h-purine, 6-((3,4-Dimethylbenzyl)thio)-7H-purine
Technical Specifications
| Molecular Formula | C14H14N4S |
| Molecular Weight | 270.0939 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.0939 Da |
| Heavy Atoms | 19 |
| Complexity | 301.0 |
| SMILES | CC1=C(C=C(C=C1)CSC2=NC=NC3=C2NC=N3)C |
| InChIKey | WEBGUJBZGMNFSM-UHFFFAOYSA-N |
Chemical Property Profile of 6-(((3,4-Dimethylphenyl)methyl)thio)-9H-purine
Property Insights of 6-(((3,4-Dimethylphenyl)methyl)thio)-9H-purine
The XLogP value of 3.2 indicates that 6-(((3,4-Dimethylphenyl)methyl)thio)-9H-purine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(((3,4-Dimethylphenyl)methyl)thio)-9H-purine. Following Lipinski's Rule of Five, 6-(((3,4-Dimethylphenyl)methyl)thio)-9H-purine 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
What is the CAS number of 6-(((3,4-Dimethylphenyl)methyl)thio)-9H-purine?
The CAS number of 6-(((3,4-Dimethylphenyl)methyl)thio)-9H-purine is 82499-09-0.
What is the molecular formula of 6-(((3,4-Dimethylphenyl)methyl)thio)-9H-purine?
The molecular formula of 6-(((3,4-Dimethylphenyl)methyl)thio)-9H-purine is C14H14N4S.
What is the molecular weight of 6-(((3,4-Dimethylphenyl)methyl)thio)-9H-purine?
The molecular weight of 6-(((3,4-Dimethylphenyl)methyl)thio)-9H-purine is 270.0939 g/mol.
Where can I buy 6-(((3,4-Dimethylphenyl)methyl)thio)-9H-purine?
You can request a quote for 6-(((3,4-Dimethylphenyl)methyl)thio)-9H-purine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-(((3,4-Dimethylphenyl)methyl)thio)-9H-purine?
Yes, CoreyChem provides custom synthesis services for 6-(((3,4-Dimethylphenyl)methyl)thio)-9H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.