2-((4-Butylphenyl)amino)-6-(methylthio)-9H-purine
TL;DR: 2-((4-Butylphenyl)amino)-6-(methylthio)-9H-purine (CAS 104761-67-3) is a chemical compound with molecular formula C16H19N5S and molecular weight 313.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-butylphenyl)-6-methylsulfanyl-7H-purin-2-amine
Also Known As: 2-(p-n-Butylanilino)-6-(methylthio)purine, 2-((4-Butylphenyl)amino)-6-(methylthio)-9H-purine, NCI60_030846, 9H-Purine, 2-((4-butylphenyl)amino)-6-(methylthio)-, n-(4-butylphenyl)-6-(methylsulfanyl)-9h-purin-2-amine
| Molecular Formula | C16H19N5S |
|---|---|
| Molecular Weight | 313.14 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 91.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.1361 |
| Heavy Atoms | 22 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 104761-67-3 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)SC)NC=N3 |
| InChIKey | KZOFMVLEQMEJEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-((4-Butylphenyl)amino)-6-(methylthio)-9H-purine (CAS 104761-67-3), with molecular formula C16H19N5S and molecular weight 313.14 g/mol. IUPAC: N-(4-butylphenyl)-6-methylsulfanyl-7H-purin-2-amine.
Chemical Property Profile of 2-((4-Butylphenyl)amino)-6-(methylthio)-9H-purine
Property Insights of 2-((4-Butylphenyl)amino)-6-(methylthio)-9H-purine
The XLogP value of 4.7 indicates that 2-((4-Butylphenyl)amino)-6-(methylthio)-9H-purine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Butylphenyl)amino)-6-(methylthio)-9H-purine. Following Lipinski's Rule of Five, 2-((4-Butylphenyl)amino)-6-(methylthio)-9H-purine has 2 hydrogen bond donor(s) and 5 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-((4-Butylphenyl)amino)-6-(methylthio)-9H-purine?
The CAS number of 2-((4-Butylphenyl)amino)-6-(methylthio)-9H-purine is 104761-67-3.
What is the molecular formula of 2-((4-Butylphenyl)amino)-6-(methylthio)-9H-purine?
The molecular formula of 2-((4-Butylphenyl)amino)-6-(methylthio)-9H-purine is C16H19N5S.
What is the molecular weight of 2-((4-Butylphenyl)amino)-6-(methylthio)-9H-purine?
The molecular weight of 2-((4-Butylphenyl)amino)-6-(methylthio)-9H-purine is 313.14 g/mol.
Where can I buy 2-((4-Butylphenyl)amino)-6-(methylthio)-9H-purine?
You can request a quote for 2-((4-Butylphenyl)amino)-6-(methylthio)-9H-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Butylphenyl)amino)-6-(methylthio)-9H-purine?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Butylphenyl)amino)-6-(methylthio)-9H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.