4-(2-methylphenyl)-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione
TL;DR: 4-(2-methylphenyl)-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione (CAS 448189-01-3) is a chemical compound with molecular formula C18H14N4S and molecular weight 318.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methylphenyl)-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-(2-methylphenyl)-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione, AN-919/40843429, 5-Quinolin-2-yl-4-o-tolyl-4H-[1,2,4]triazole-3-thiol, 4-(2-methylphenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol, 4-(o-tolyl)-3-(2-quinolyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C18H14N4S |
|---|---|
| Molecular Weight | 318.09 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.0939 |
| Heavy Atoms | 23 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 448189-01-3 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=NNC2=S)C3=NC4=CC=CC=C4C=C3 |
| InChIKey | MOXHKAYPCUIFIO-UHFFFAOYSA-N |
Product Overview
4-(2-methylphenyl)-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione (CAS 448189-01-3), with molecular formula C18H14N4S and molecular weight 318.09 g/mol. IUPAC: 4-(2-methylphenyl)-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(2-methylphenyl)-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione
Property Insights of 4-(2-methylphenyl)-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione
The XLogP value of 4.2 indicates that 4-(2-methylphenyl)-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-methylphenyl)-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 4-(2-methylphenyl)-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione has 1 hydrogen bond donor(s) and 3 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 4-(2-methylphenyl)-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione?
The CAS number of 4-(2-methylphenyl)-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione is 448189-01-3.
What is the molecular formula of 4-(2-methylphenyl)-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-(2-methylphenyl)-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione is C18H14N4S.
What is the molecular weight of 4-(2-methylphenyl)-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-(2-methylphenyl)-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione is 318.09 g/mol.
Where can I buy 4-(2-methylphenyl)-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-(2-methylphenyl)-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-methylphenyl)-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-methylphenyl)-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.