1H-Purine, 8-(2-methoxy-4-(methylthio)phenyl)-
TL;DR: 1H-Purine, 8-(2-methoxy-4-(methylthio)phenyl)- (CAS 77456-44-1) is a chemical compound with molecular formula C13H12N4OS and molecular weight 272.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-methoxy-4-methylsulfanylphenyl)-7H-purine
Also Known As: 1H-Purine, 8-(2-methoxy-4-(methylthio)phenyl)-, 8-(2-Methoxy-4-(methylthio)phenyl)-1H-purine, 8-(2-Methoxy-4-methylmercapto-phenyl)-purin, 8-(2-Methoxy-4-methylmercapto-phenyl)-purin [German], 8-(2-methoxy-4-methylmercaptophenyl)-purine
| Molecular Formula | C13H12N4OS |
|---|---|
| Molecular Weight | 272.07 g/mol |
| LogP | 2.7504 |
| Topological Polar Surface Area | 63.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.07318 |
| Heavy Atoms | 19 |
| Complexity | 692.49 |
Chemical Identifiers
| CAS Number | 77456-44-1 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)SC)C2=NC3=NC=NC=C3N2 |
Product Overview
1H-Purine, 8-(2-methoxy-4-(methylthio)phenyl)- (CAS 77456-44-1), with molecular formula C13H12N4OS and molecular weight 272.07 g/mol. IUPAC: 8-(2-methoxy-4-methylsulfanylphenyl)-7H-purine.
Chemical Property Profile of 1H-Purine, 8-(2-methoxy-4-(methylthio)phenyl)-
Property Insights of 1H-Purine, 8-(2-methoxy-4-(methylthio)phenyl)-
The XLogP value of 2.7504 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Purine, 8-(2-methoxy-4-(methylthio)phenyl)-. The TPSA of 63.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Purine, 8-(2-methoxy-4-(methylthio)phenyl)-. Following Lipinski's Rule of Five, 1H-Purine, 8-(2-methoxy-4-(methylthio)phenyl)- has 1 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 1H-Purine, 8-(2-methoxy-4-(methylthio)phenyl)-?
The CAS number of 1H-Purine, 8-(2-methoxy-4-(methylthio)phenyl)- is 77456-44-1.
What is the molecular formula of 1H-Purine, 8-(2-methoxy-4-(methylthio)phenyl)-?
The molecular formula of 1H-Purine, 8-(2-methoxy-4-(methylthio)phenyl)- is C13H12N4OS.
What is the molecular weight of 1H-Purine, 8-(2-methoxy-4-(methylthio)phenyl)-?
The molecular weight of 1H-Purine, 8-(2-methoxy-4-(methylthio)phenyl)- is 272.07 g/mol.
Where can I buy 1H-Purine, 8-(2-methoxy-4-(methylthio)phenyl)-?
You can request a quote for 1H-Purine, 8-(2-methoxy-4-(methylthio)phenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Purine, 8-(2-methoxy-4-(methylthio)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Purine, 8-(2-methoxy-4-(methylthio)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.