2-chloro-6-(2-methylphenyl)sulfanyl-7H-purine
TL;DR: 2-chloro-6-(2-methylphenyl)sulfanyl-7H-purine (CAS 646509-48-0) is a chemical compound with molecular formula C12H9ClN4S and molecular weight 276.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6-(2-methylphenyl)sulfanyl-7H-purine
Also Known As: 2-chloro-6-(2-methylphenyl)sulfanyl-7H-purine, 2-Chloro-6-(o-tolylthio)-1H-purine, 2-chloro-6-(o-tolylsulfanyl)-9H-purine, 1H-Purine, 2-chloro-6-[(2-methylphenyl)thio]-, 2-Chloro-6-[(2-methylphenyl)sulfanyl]-7H-purine
| Molecular Formula | C12H9ClN4S |
|---|---|
| Molecular Weight | 276.02 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.02365 |
| Heavy Atoms | 18 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 646509-48-0 |
|---|---|
| SMILES | CC1=CC=CC=C1SC2=NC(=NC3=C2NC=N3)Cl |
| InChIKey | HOEALLFXKCCTSU-UHFFFAOYSA-N |
Product Overview
2-chloro-6-(2-methylphenyl)sulfanyl-7H-purine (CAS 646509-48-0), with molecular formula C12H9ClN4S and molecular weight 276.02 g/mol. IUPAC: 2-chloro-6-(2-methylphenyl)sulfanyl-7H-purine.
Chemical Property Profile of 2-chloro-6-(2-methylphenyl)sulfanyl-7H-purine
Property Insights of 2-chloro-6-(2-methylphenyl)sulfanyl-7H-purine
The XLogP value of 3.8 indicates that 2-chloro-6-(2-methylphenyl)sulfanyl-7H-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 2-chloro-6-(2-methylphenyl)sulfanyl-7H-purine. Following Lipinski's Rule of Five, 2-chloro-6-(2-methylphenyl)sulfanyl-7H-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 2-chloro-6-(2-methylphenyl)sulfanyl-7H-purine?
The CAS number of 2-chloro-6-(2-methylphenyl)sulfanyl-7H-purine is 646509-48-0.
What is the molecular formula of 2-chloro-6-(2-methylphenyl)sulfanyl-7H-purine?
The molecular formula of 2-chloro-6-(2-methylphenyl)sulfanyl-7H-purine is C12H9ClN4S.
What is the molecular weight of 2-chloro-6-(2-methylphenyl)sulfanyl-7H-purine?
The molecular weight of 2-chloro-6-(2-methylphenyl)sulfanyl-7H-purine is 276.02 g/mol.
Where can I buy 2-chloro-6-(2-methylphenyl)sulfanyl-7H-purine?
You can request a quote for 2-chloro-6-(2-methylphenyl)sulfanyl-7H-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-6-(2-methylphenyl)sulfanyl-7H-purine?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-6-(2-methylphenyl)sulfanyl-7H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.