6-(p-tolylmethylsulfanyl)-9H-purine
TL;DR: 6-(p-tolylmethylsulfanyl)-9H-purine (CAS 5069-72-7) is a chemical compound with molecular formula C13H12N4S and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-methylphenyl)methylsulfanyl]-7H-purine
Also Known As: 6-(p-tolylmethylsulfanyl)-9H-purine, 6-(4-Methylbenzylthio)purine, 6-[(4-methylphenyl)methylthio]purine, 6-((4-methylbenzyl)thio)-7H-purine, 6-[(4-methylbenzyl)sulfanyl]-7h-purine
| Molecular Formula | C13H12N4S |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.07828 |
| Heavy Atoms | 18 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 5069-72-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NC=NC3=C2NC=N3 |
| InChIKey | YIYGATPLOFBSGV-UHFFFAOYSA-N |
Product Overview
6-(p-tolylmethylsulfanyl)-9H-purine (CAS 5069-72-7), with molecular formula C13H12N4S and molecular weight 256.08 g/mol. IUPAC: 6-[(4-methylphenyl)methylsulfanyl]-7H-purine.
Chemical Property Profile of 6-(p-tolylmethylsulfanyl)-9H-purine
Property Insights of 6-(p-tolylmethylsulfanyl)-9H-purine
The XLogP value of 3.0 indicates that 6-(p-tolylmethylsulfanyl)-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-(p-tolylmethylsulfanyl)-9H-purine. Following Lipinski's Rule of Five, 6-(p-tolylmethylsulfanyl)-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
Frequently Asked Questions
What is the CAS number of 6-(p-tolylmethylsulfanyl)-9H-purine?
The CAS number of 6-(p-tolylmethylsulfanyl)-9H-purine is 5069-72-7.
What is the molecular formula of 6-(p-tolylmethylsulfanyl)-9H-purine?
The molecular formula of 6-(p-tolylmethylsulfanyl)-9H-purine is C13H12N4S.
What is the molecular weight of 6-(p-tolylmethylsulfanyl)-9H-purine?
The molecular weight of 6-(p-tolylmethylsulfanyl)-9H-purine is 256.08 g/mol.
Where can I buy 6-(p-tolylmethylsulfanyl)-9H-purine?
You can request a quote for 6-(p-tolylmethylsulfanyl)-9H-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(p-tolylmethylsulfanyl)-9H-purine?
Yes, KEHONG BIO provides custom synthesis services for 6-(p-tolylmethylsulfanyl)-9H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.