4-((3-BR-4-Methoxybenzylidene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-((3-BR-4-Methoxybenzylidene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazole-3-thiol (CAS 613249-85-7) is a chemical compound with molecular formula C18H17BrN4O2S and molecular weight 432.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-{[(E)-(3-bromo-4-methoxyphenyl)methylidene]amino}-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol, (E)-4-((3-bromo-4-methoxybenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-((3-BR-4-Methoxybenzylidene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazole-3-thiol, 4-((3-Bromo-4-methoxybenzylidene)amino)-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione, 4-[(1E)-2-(3-bromo-4-methoxyphenyl)-1-azavinyl]-5-(3-ethoxyphenyl)-1,2,4-triaz ole-3-thiol
| Molecular Formula | C18H17BrN4O2S |
|---|---|
| Molecular Weight | 432.03 g/mol |
| LogP | 4.65969 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.02557 |
| Heavy Atoms | 26 |
| Complexity | 996.8513 |
Chemical Identifiers
| CAS Number | 613249-85-7 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC(=C(C=C3)OC)Br |
Product Overview
4-((3-BR-4-Methoxybenzylidene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazole-3-thiol (CAS 613249-85-7), with molecular formula C18H17BrN4O2S and molecular weight 432.03 g/mol. IUPAC: 4-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((3-BR-4-Methoxybenzylidene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-((3-BR-4-Methoxybenzylidene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.65969 indicates that 4-((3-BR-4-Methoxybenzylidene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((3-BR-4-Methoxybenzylidene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-((3-BR-4-Methoxybenzylidene)amino)-5-(3-ethoxy-PH)-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-BR-4-Methoxybenzylidene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-((3-BR-4-Methoxybenzylidene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazole-3-thiol is 613249-85-7.
What is the molecular formula of 4-((3-BR-4-Methoxybenzylidene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-((3-BR-4-Methoxybenzylidene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazole-3-thiol is C18H17BrN4O2S.
What is the molecular weight of 4-((3-BR-4-Methoxybenzylidene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-((3-BR-4-Methoxybenzylidene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazole-3-thiol is 432.03 g/mol.
Where can I buy 4-((3-BR-4-Methoxybenzylidene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-((3-BR-4-Methoxybenzylidene)amino)-5-(3-ethoxy-PH)-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-BR-4-Methoxybenzylidene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-((3-BR-4-Methoxybenzylidene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.