4-phenyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-phenyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol (CAS 70059-80-2) is a chemical compound with molecular formula C23H16N4S and molecular weight 380.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-3-(2-phenylquinolin-4-yl)-1H-1,2,4-triazole-5-thione
Also Known As: delta-Valerolactone, 4-phenyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol, 4-phenyl-3-(2-phenylquinolin-4-yl)-1H-1,2,4-triazole-5-thione, 4-phenyl-3-(2-phenyl-4-quinolyl)-1H-1,2,4-triazole-5-thione, 4-phenyl-3-(2-phenylquinolin-4-yl)-1H-1,2,4-triazole-5-thion
| Molecular Formula | C23H16N4S |
|---|---|
| Molecular Weight | 380.11 g/mol |
| LogP | 5.81209 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.10956 |
| Heavy Atoms | 28 |
| Complexity | 1321.3514 |
Chemical Identifiers
| CAS Number | 70059-80-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NNC(=S)N4C5=CC=CC=C5 |
Product Overview
4-phenyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol (CAS 70059-80-2), with molecular formula C23H16N4S and molecular weight 380.11 g/mol. IUPAC: 4-phenyl-3-(2-phenylquinolin-4-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-phenyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-phenyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.81209 indicates that 4-phenyl-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-phenyl-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-phenyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-phenyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-phenyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol is 70059-80-2.
What is the molecular formula of 4-phenyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-phenyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol is C23H16N4S.
What is the molecular weight of 4-phenyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-phenyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol is 380.11 g/mol.
Where can I buy 4-phenyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-phenyl-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-phenyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-phenyl-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.