(E)-5-(3-ethoxyphenyl)-4-((2,3,4-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-5-(3-ethoxyphenyl)-4-((2,3,4-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 613249-62-0) is a chemical compound with molecular formula C20H22N4O4S and molecular weight 414.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-ethoxyphenyl)-4-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-5-(3-ethoxyphenyl)-4-((2,3,4-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol, 3-(3-ethoxyphenyl)-4-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 4-[(1E)-2-(2,3,4-trimethoxyphenyl)-1-azavinyl]-5-(3-ethoxyphenyl)-1,2,4-triazo le-3-thiol, 5-(3-ethoxyphenyl)-4-{[(E)-(2,3,4-trimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-(3-ETHOXYPHENYL)-4-{[(E)-(2,3,4-TRIMETHOXYPHENYL)METHYLIDENE]AMINO}-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE
| Molecular Formula | C20H22N4O4S |
|---|---|
| Molecular Weight | 414.14 g/mol |
| LogP | 3.91439 |
| Topological Polar Surface Area | 82.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.13617 |
| Heavy Atoms | 29 |
| Complexity | 1074.5834 |
Chemical Identifiers
| CAS Number | 613249-62-0 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=C(C(=C(C=C3)OC)OC)OC |
Product Overview
(E)-5-(3-ethoxyphenyl)-4-((2,3,4-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 613249-62-0), with molecular formula C20H22N4O4S and molecular weight 414.14 g/mol. IUPAC: 3-(3-ethoxyphenyl)-4-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-5-(3-ethoxyphenyl)-4-((2,3,4-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-5-(3-ethoxyphenyl)-4-((2,3,4-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.91439 indicates that (E)-5-(3-ethoxyphenyl)-4-((2,3,4-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.89 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-(3-ethoxyphenyl)-4-((2,3,4-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, (E)-5-(3-ethoxyphenyl)-4-((2,3,4-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 (E)-5-(3-ethoxyphenyl)-4-((2,3,4-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-5-(3-ethoxyphenyl)-4-((2,3,4-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol is 613249-62-0.
What is the molecular formula of (E)-5-(3-ethoxyphenyl)-4-((2,3,4-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-5-(3-ethoxyphenyl)-4-((2,3,4-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol is C20H22N4O4S.
What is the molecular weight of (E)-5-(3-ethoxyphenyl)-4-((2,3,4-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-5-(3-ethoxyphenyl)-4-((2,3,4-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol is 414.14 g/mol.
Where can I buy (E)-5-(3-ethoxyphenyl)-4-((2,3,4-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-5-(3-ethoxyphenyl)-4-((2,3,4-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 (E)-5-(3-ethoxyphenyl)-4-((2,3,4-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(3-ethoxyphenyl)-4-((2,3,4-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.