Purine, 6-(p-methoxybenzylthio)-
TL;DR: Purine, 6-(p-methoxybenzylthio)- (CAS 91803-44-0) 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.
6-[(4-methoxyphenyl)methylsulfanyl]-7H-purine
Also Known As: Purine, 6-(p-methoxybenzylthio)-, 6-((4-methoxybenzyl)thio)-7H-purine, 6-(4-Methoxybenzylmercapto)purine, AX 73, 6-[(4-methoxybenzyl)sulfanyl]-9H-purine
| Molecular Formula | C13H12N4OS |
|---|---|
| Molecular Weight | 272.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 89.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.07318 |
| Heavy Atoms | 19 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 91803-44-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CSC2=NC=NC3=C2NC=N3 |
| InChIKey | HRSGHLQOMVWURP-UHFFFAOYSA-N |
Product Overview
Purine, 6-(p-methoxybenzylthio)- (CAS 91803-44-0), with molecular formula C13H12N4OS and molecular weight 272.07 g/mol. IUPAC: 6-[(4-methoxyphenyl)methylsulfanyl]-7H-purine.
Chemical Property Profile of Purine, 6-(p-methoxybenzylthio)-
Property Insights of Purine, 6-(p-methoxybenzylthio)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Purine, 6-(p-methoxybenzylthio)-. The TPSA of 89.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Purine, 6-(p-methoxybenzylthio)-. Following Lipinski's Rule of Five, Purine, 6-(p-methoxybenzylthio)- 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 Purine, 6-(p-methoxybenzylthio)-?
The CAS number of Purine, 6-(p-methoxybenzylthio)- is 91803-44-0.
What is the molecular formula of Purine, 6-(p-methoxybenzylthio)-?
The molecular formula of Purine, 6-(p-methoxybenzylthio)- is C13H12N4OS.
What is the molecular weight of Purine, 6-(p-methoxybenzylthio)-?
The molecular weight of Purine, 6-(p-methoxybenzylthio)- is 272.07 g/mol.
Where can I buy Purine, 6-(p-methoxybenzylthio)-?
You can request a quote for Purine, 6-(p-methoxybenzylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Purine, 6-(p-methoxybenzylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Purine, 6-(p-methoxybenzylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.