4-(2,5-dimethoxyphenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(2,5-dimethoxyphenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol (CAS 442673-47-4) is a chemical compound with molecular formula C19H16N4O2S and molecular weight 364.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,5-dimethoxyphenyl)-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione
Also Known As: A2860/0120562, 4-(2,5-dimethoxyphenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol, 4-(2,5-dimethoxyphenyl)-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione, 4-(2,5-Dimethoxy-phenyl)-5-quinolin-2-yl-2,4-dihydro-[1,2,4]triazole-3-thione, 4-(2,5-dimethoxyphenyl)-5-(2-quinolyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C19H16N4O2S |
|---|---|
| Molecular Weight | 364.10 g/mol |
| LogP | 4.16229 |
| Topological Polar Surface Area | 64.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.0994 |
| Heavy Atoms | 26 |
| Complexity | 1149.7006 |
Chemical Identifiers
| CAS Number | 442673-47-4 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)N2C(=NNC2=S)C3=NC4=CC=CC=C4C=C3 |
Product Overview
4-(2,5-dimethoxyphenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol (CAS 442673-47-4), with molecular formula C19H16N4O2S and molecular weight 364.10 g/mol. IUPAC: 4-(2,5-dimethoxyphenyl)-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(2,5-dimethoxyphenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(2,5-dimethoxyphenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.16229 indicates that 4-(2,5-dimethoxyphenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,5-dimethoxyphenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-(2,5-dimethoxyphenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol 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 4-(2,5-dimethoxyphenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(2,5-dimethoxyphenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol is 442673-47-4.
What is the molecular formula of 4-(2,5-dimethoxyphenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(2,5-dimethoxyphenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol is C19H16N4O2S.
What is the molecular weight of 4-(2,5-dimethoxyphenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(2,5-dimethoxyphenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol is 364.10 g/mol.
Where can I buy 4-(2,5-dimethoxyphenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(2,5-dimethoxyphenyl)-5-(quinolin-2-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-(2,5-dimethoxyphenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,5-dimethoxyphenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.