(E)-4-((2,4-dimethoxybenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-4-((2,4-dimethoxybenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 577998-17-5) is a chemical compound with molecular formula C20H22N4O3S and molecular weight 398.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((2,4-dimethoxybenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(2,4-dimethoxyphenyl)-1-azavinyl]-5-[3-(methylethoxy)phenyl]-1,2,4-t riazole-3-thiol, 4-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione, 4-{[(E)-(2,4-DIMETHOXYPHENYL)METHYLIDENE]AMINO}-5-(3-ISOPROPOXYPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL, 4-{[(E)-(2,4-dimethoxyphenyl)methylidene]amino}-5-[3-(propan-2-yloxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C20H22N4O3S |
|---|---|
| Molecular Weight | 398.14 g/mol |
| LogP | 4.29429 |
| Topological Polar Surface Area | 73.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.14127 |
| Heavy Atoms | 28 |
| Complexity | 1039.9252 |
Chemical Identifiers
| CAS Number | 577998-17-5 |
|---|---|
| SMILES | CC(C)OC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=C(C=C(C=C3)OC)OC |
Product Overview
(E)-4-((2,4-dimethoxybenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 577998-17-5), with molecular formula C20H22N4O3S and molecular weight 398.14 g/mol. IUPAC: 4-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-4-((2,4-dimethoxybenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-4-((2,4-dimethoxybenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.29429 indicates that (E)-4-((2,4-dimethoxybenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.66 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((2,4-dimethoxybenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, (E)-4-((2,4-dimethoxybenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 6 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)-4-((2,4-dimethoxybenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-4-((2,4-dimethoxybenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol is 577998-17-5.
What is the molecular formula of (E)-4-((2,4-dimethoxybenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-4-((2,4-dimethoxybenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol is C20H22N4O3S.
What is the molecular weight of (E)-4-((2,4-dimethoxybenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-4-((2,4-dimethoxybenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol is 398.14 g/mol.
Where can I buy (E)-4-((2,4-dimethoxybenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-4-((2,4-dimethoxybenzylidene)amino)-5-(3-isopropoxyphenyl)-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)-4-((2,4-dimethoxybenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((2,4-dimethoxybenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.