4-((3-Phenoxybenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-((3-Phenoxybenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol (CAS 497823-70-8) is a chemical compound with molecular formula C20H15N5OS and molecular weight 373.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(3-phenoxyphenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-((3-Phenoxybenzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol, 4-((3-PHENOXYBENZYLIDENE)AMINO)-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOLE-3-THIOL, (E)-4-((3-phenoxybenzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(3-phenoxyphenyl)-1-azavinyl]-5-(2-pyridyl)-1,2,4-triazole-3-thiol, 4-[(E)-(3-phenoxyphenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
| Molecular Formula | C20H15N5OS |
|---|---|
| Molecular Weight | 373.10 g/mol |
| LogP | 4.67719 |
| Topological Polar Surface Area | 68.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.09973 |
| Heavy Atoms | 27 |
| Complexity | 1119.8395 |
Chemical Identifiers
| CAS Number | 497823-70-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=CC(=C2)/C=N/N3C(=NNC3=S)C4=CC=CC=N4 |
Product Overview
4-((3-Phenoxybenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol (CAS 497823-70-8), with molecular formula C20H15N5OS and molecular weight 373.10 g/mol. IUPAC: 4-[(E)-(3-phenoxyphenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((3-Phenoxybenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-((3-Phenoxybenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.67719 indicates that 4-((3-Phenoxybenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((3-Phenoxybenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-((3-Phenoxybenzylidene)amino)-5-(2-pyridinyl)-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-((3-Phenoxybenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-((3-Phenoxybenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol is 497823-70-8.
What is the molecular formula of 4-((3-Phenoxybenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-((3-Phenoxybenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol is C20H15N5OS.
What is the molecular weight of 4-((3-Phenoxybenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-((3-Phenoxybenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol is 373.10 g/mol.
Where can I buy 4-((3-Phenoxybenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-((3-Phenoxybenzylidene)amino)-5-(2-pyridinyl)-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-((3-Phenoxybenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-((3-Phenoxybenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.