4-ethyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-ethyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol (CAS 477188-25-3) is a chemical compound with molecular formula C19H16N4S and molecular weight 332.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-3-(2-phenylquinolin-4-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-ethyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol, 4-ethyl-3-(2-phenylquinolin-4-yl)-1H-1,2,4-triazole-5-thione, 5-Amino-1,3-diethyl-1,3-dihydro-benzoimidazol-2-one, 4-ethyl-3-(2-phenyl-4-quinolyl)-1H-1,2,4-triazole-5-thione, 4-ethyl-5-(2-phenyl(4-quinolyl))-1,2,4-triazole-3-thiol
| Molecular Formula | C19H16N4S |
|---|---|
| Molecular Weight | 332.11 g/mol |
| LogP | 4.84279 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.10956 |
| Heavy Atoms | 24 |
| Complexity | 1063.622 |
Chemical Identifiers
| CAS Number | 477188-25-3 |
|---|---|
| SMILES | CCN1C(=NNC1=S)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4 |
Product Overview
4-ethyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol (CAS 477188-25-3), with molecular formula C19H16N4S and molecular weight 332.11 g/mol. IUPAC: 4-ethyl-3-(2-phenylquinolin-4-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-ethyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-ethyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.84279 indicates that 4-ethyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 4-ethyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-ethyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol 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-ethyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-ethyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol is 477188-25-3.
What is the molecular formula of 4-ethyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-ethyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol is C19H16N4S.
What is the molecular weight of 4-ethyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-ethyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol is 332.11 g/mol.
Where can I buy 4-ethyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-ethyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-ethyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-ethyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.