4-((5-BR-2-Methoxybenzylidene)amino)-5-(3-ME-phenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-((5-BR-2-Methoxybenzylidene)amino)-5-(3-ME-phenyl)-4H-1,2,4-triazole-3-thiol (CAS 478255-64-0) is a chemical compound with molecular formula C17H15BrN4OS and molecular weight 402.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: Salor-int l230405-1ea, 4-((5-Bromo-2-methoxybenzylidene)amino)-3-(m-tolyl)-1H-1,2,4-triazole-5(4H)-thione, 4-((5-BR-2-METHOXYBENZYLIDENE)AMINO)-5-(3-ME-PHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL, (E)-4-((5-bromo-2-methoxybenzylidene)amino)-5-(m-tolyl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(5-bromo-2-methoxyphenyl)-1-azavinyl]-5-(3-methylphenyl)-1,2,4-triaz ole-3-thiol
| Molecular Formula | C17H15BrN4OS |
|---|---|
| Molecular Weight | 402.01 g/mol |
| LogP | 4.56941 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.01498 |
| Heavy Atoms | 24 |
| Complexity | 961.21954 |
Chemical Identifiers
| CAS Number | 478255-64-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NNC(=S)N2/N=C/C3=C(C=CC(=C3)Br)OC |
Product Overview
4-((5-BR-2-Methoxybenzylidene)amino)-5-(3-ME-phenyl)-4H-1,2,4-triazole-3-thiol (CAS 478255-64-0), with molecular formula C17H15BrN4OS and molecular weight 402.01 g/mol. IUPAC: 4-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((5-BR-2-Methoxybenzylidene)amino)-5-(3-ME-phenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-((5-BR-2-Methoxybenzylidene)amino)-5-(3-ME-phenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.56941 indicates that 4-((5-BR-2-Methoxybenzylidene)amino)-5-(3-ME-phenyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, 4-((5-BR-2-Methoxybenzylidene)amino)-5-(3-ME-phenyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((5-BR-2-Methoxybenzylidene)amino)-5-(3-ME-phenyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 4 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-((5-BR-2-Methoxybenzylidene)amino)-5-(3-ME-phenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-((5-BR-2-Methoxybenzylidene)amino)-5-(3-ME-phenyl)-4H-1,2,4-triazole-3-thiol is 478255-64-0.
What is the molecular formula of 4-((5-BR-2-Methoxybenzylidene)amino)-5-(3-ME-phenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-((5-BR-2-Methoxybenzylidene)amino)-5-(3-ME-phenyl)-4H-1,2,4-triazole-3-thiol is C17H15BrN4OS.
What is the molecular weight of 4-((5-BR-2-Methoxybenzylidene)amino)-5-(3-ME-phenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-((5-BR-2-Methoxybenzylidene)amino)-5-(3-ME-phenyl)-4H-1,2,4-triazole-3-thiol is 402.01 g/mol.
Where can I buy 4-((5-BR-2-Methoxybenzylidene)amino)-5-(3-ME-phenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-((5-BR-2-Methoxybenzylidene)amino)-5-(3-ME-phenyl)-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-((5-BR-2-Methoxybenzylidene)amino)-5-(3-ME-phenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-((5-BR-2-Methoxybenzylidene)amino)-5-(3-ME-phenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.