Quinoline, 2-(1H-purin-6-ylthio)-
TL;DR: Quinoline, 2-(1H-purin-6-ylthio)- (CAS 92160-98-0) is a chemical compound with molecular formula C14H9N5S and molecular weight 279.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7H-purin-6-ylsulfanyl)quinoline
Also Known As: 1-p-Tolyl-1H-indazol, Quinoline, 2-(1H-purin-6-ylthio)-, 2-(7H-purin-6-ylsulfanyl)quinoline, 2-(9H-purin-6-ylsulfanyl)quinoline, Quinoline, 2-(9H-purin-6-ylthio)-
| Molecular Formula | C14H9N5S |
|---|---|
| Molecular Weight | 279.06 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.05786 |
| Heavy Atoms | 20 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 92160-98-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=N2)SC3=NC=NC4=C3NC=N4 |
| InChIKey | MCUIPKFCAPKZJU-UHFFFAOYSA-N |
Product Overview
Quinoline, 2-(1H-purin-6-ylthio)- (CAS 92160-98-0), with molecular formula C14H9N5S and molecular weight 279.06 g/mol. IUPAC: 2-(7H-purin-6-ylsulfanyl)quinoline.
Chemical Property Profile of Quinoline, 2-(1H-purin-6-ylthio)-
Property Insights of Quinoline, 2-(1H-purin-6-ylthio)-
The XLogP value of 3.1 indicates that Quinoline, 2-(1H-purin-6-ylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinoline, 2-(1H-purin-6-ylthio)-. Following Lipinski's Rule of Five, Quinoline, 2-(1H-purin-6-ylthio)- 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 Quinoline, 2-(1H-purin-6-ylthio)-?
The CAS number of Quinoline, 2-(1H-purin-6-ylthio)- is 92160-98-0.
What is the molecular formula of Quinoline, 2-(1H-purin-6-ylthio)-?
The molecular formula of Quinoline, 2-(1H-purin-6-ylthio)- is C14H9N5S.
What is the molecular weight of Quinoline, 2-(1H-purin-6-ylthio)-?
The molecular weight of Quinoline, 2-(1H-purin-6-ylthio)- is 279.06 g/mol.
Where can I buy Quinoline, 2-(1H-purin-6-ylthio)-?
You can request a quote for Quinoline, 2-(1H-purin-6-ylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinoline, 2-(1H-purin-6-ylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Quinoline, 2-(1H-purin-6-ylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.