5-(3-Pyridinyl)-4-((3,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(3-Pyridinyl)-4-((3,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 498568-53-9) is a chemical compound with molecular formula C17H17N5O3S and molecular weight 371.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyridin-3-yl-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-5-(pyridin-3-yl)-4-((3,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(3,4,5-trimethoxyphenyl)-1-azavinyl]-5-(3-pyridyl)-1,2,4-triazole-3- thiol, 5-(3-PYRIDINYL)-4-((3,4,5-TRIMETHOXYBENZYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL, 5-(pyridin-3-yl)-4-{[(E)-(3,4,5-trimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C17H17N5O3S |
|---|---|
| Molecular Weight | 371.11 g/mol |
| LogP | 2.91069 |
| Topological Polar Surface Area | 86.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 371.10522 |
| Heavy Atoms | 26 |
| Complexity | 956.5586 |
Chemical Identifiers
| CAS Number | 498568-53-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=N/N2C(=NNC2=S)C3=CN=CC=C3 |
Product Overview
5-(3-Pyridinyl)-4-((3,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 498568-53-9), with molecular formula C17H17N5O3S and molecular weight 371.11 g/mol. IUPAC: 3-pyridin-3-yl-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(3-Pyridinyl)-4-((3,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(3-Pyridinyl)-4-((3,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.91069 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Pyridinyl)-4-((3,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol. The TPSA of 86.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-Pyridinyl)-4-((3,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-(3-Pyridinyl)-4-((3,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 7 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 5-(3-Pyridinyl)-4-((3,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(3-Pyridinyl)-4-((3,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol is 498568-53-9.
What is the molecular formula of 5-(3-Pyridinyl)-4-((3,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(3-Pyridinyl)-4-((3,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol is C17H17N5O3S.
What is the molecular weight of 5-(3-Pyridinyl)-4-((3,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(3-Pyridinyl)-4-((3,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol is 371.11 g/mol.
Where can I buy 5-(3-Pyridinyl)-4-((3,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(3-Pyridinyl)-4-((3,4,5-trimethoxybenzylidene)amino)-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 5-(3-Pyridinyl)-4-((3,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Pyridinyl)-4-((3,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.