(E)-4-((3-(benzyloxy)-4-methoxybenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-4-((3-(benzyloxy)-4-methoxybenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 613249-63-1) is a chemical compound with molecular formula C25H24N4O3S and molecular weight 460.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-ethoxyphenyl)-4-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((3-(benzyloxy)-4-methoxybenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol, 3-(3-ethoxyphenyl)-4-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 4-({(E)-[3-(benzyloxy)-4-methoxyphenyl]methylidene}amino)-5-(3-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-({(E)-[3-(benzyloxy)-4-methoxyphenyl]methylidene}amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-{(1E)-2-[4-methoxy-3-(phenylmethoxy)phenyl]-1-azavinyl}-5-(3-ethoxyphenyl)-1 ,2,4-triazole-3-thiol
| Molecular Formula | C25H24N4O3S |
|---|---|
| Molecular Weight | 460.16 g/mol |
| LogP | 5.47619 |
| Topological Polar Surface Area | 73.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 460.15692 |
| Heavy Atoms | 33 |
| Complexity | 1298.5123 |
Chemical Identifiers
| CAS Number | 613249-63-1 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC(=C(C=C3)OC)OCC4=CC=CC=C4 |
Product Overview
(E)-4-((3-(benzyloxy)-4-methoxybenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 613249-63-1), with molecular formula C25H24N4O3S and molecular weight 460.16 g/mol. IUPAC: 3-(3-ethoxyphenyl)-4-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-4-((3-(benzyloxy)-4-methoxybenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-4-((3-(benzyloxy)-4-methoxybenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.47619 indicates that (E)-4-((3-(benzyloxy)-4-methoxybenzylidene)amino)-5-(3-ethoxyphenyl)-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-((3-(benzyloxy)-4-methoxybenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, (E)-4-((3-(benzyloxy)-4-methoxybenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-4-((3-(benzyloxy)-4-methoxybenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-4-((3-(benzyloxy)-4-methoxybenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol is 613249-63-1.
What is the molecular formula of (E)-4-((3-(benzyloxy)-4-methoxybenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-4-((3-(benzyloxy)-4-methoxybenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol is C25H24N4O3S.
What is the molecular weight of (E)-4-((3-(benzyloxy)-4-methoxybenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-4-((3-(benzyloxy)-4-methoxybenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol is 460.16 g/mol.
Where can I buy (E)-4-((3-(benzyloxy)-4-methoxybenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-4-((3-(benzyloxy)-4-methoxybenzylidene)amino)-5-(3-ethoxyphenyl)-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-((3-(benzyloxy)-4-methoxybenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((3-(benzyloxy)-4-methoxybenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.