4-((3-BR-4-METHOXYBENZYLIDENE)AMINO)-5-(2,4-DI-CL-PH)-4H-1,2,4-TRIAZOLE-3-THIOL
TL;DR: 4-((3-BR-4-METHOXYBENZYLIDENE)AMINO)-5-(2,4-DI-CL-PH)-4H-1,2,4-TRIAZOLE-3-THIOL (CAS 430457-64-0) is a chemical compound with molecular formula C16H11BrCl2N4OS and molecular weight 455.92 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-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-((3-BR-4-METHOXYBENZYLIDENE)AMINO)-5-(2,4-DI-CL-PH)-4H-1,2,4-TRIAZOLE-3-THIOL, 4-[(3-bromo-4-methoxybenzylidene)amino]-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol, (E)-4-((3-bromo-4-methoxybenzylidene)amino)-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol, 4-[(3-bromo-4-methoxy-phenyl)methylideneamino]-5-(2,4-dichlorophenyl)-2H-1,2,4-triazole-3-thione, 4-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C16H11BrCl2N4OS |
|---|---|
| Molecular Weight | 455.92 g/mol |
| LogP | 5.56779 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.9214 |
| Heavy Atoms | 25 |
| Complexity | 1015.60956 |
Chemical Identifiers
| CAS Number | 430457-64-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=N/N2C(=NNC2=S)C3=C(C=C(C=C3)Cl)Cl)Br |
Product Overview
4-((3-BR-4-METHOXYBENZYLIDENE)AMINO)-5-(2,4-DI-CL-PH)-4H-1,2,4-TRIAZOLE-3-THIOL (CAS 430457-64-0), with molecular formula C16H11BrCl2N4OS and molecular weight 455.92 g/mol. IUPAC: 4-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((3-BR-4-METHOXYBENZYLIDENE)AMINO)-5-(2,4-DI-CL-PH)-4H-1,2,4-TRIAZOLE-3-THIOL
Property Insights of 4-((3-BR-4-METHOXYBENZYLIDENE)AMINO)-5-(2,4-DI-CL-PH)-4H-1,2,4-TRIAZOLE-3-THIOL
The XLogP value of 5.56779 indicates that 4-((3-BR-4-METHOXYBENZYLIDENE)AMINO)-5-(2,4-DI-CL-PH)-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-((3-BR-4-METHOXYBENZYLIDENE)AMINO)-5-(2,4-DI-CL-PH)-4H-1,2,4-TRIAZOLE-3-THIOL exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((3-BR-4-METHOXYBENZYLIDENE)AMINO)-5-(2,4-DI-CL-PH)-4H-1,2,4-TRIAZOLE-3-THIOL has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-((3-BR-4-METHOXYBENZYLIDENE)AMINO)-5-(2,4-DI-CL-PH)-4H-1,2,4-TRIAZOLE-3-THIOL?
The CAS number of 4-((3-BR-4-METHOXYBENZYLIDENE)AMINO)-5-(2,4-DI-CL-PH)-4H-1,2,4-TRIAZOLE-3-THIOL is 430457-64-0.
What is the molecular formula of 4-((3-BR-4-METHOXYBENZYLIDENE)AMINO)-5-(2,4-DI-CL-PH)-4H-1,2,4-TRIAZOLE-3-THIOL?
The molecular formula of 4-((3-BR-4-METHOXYBENZYLIDENE)AMINO)-5-(2,4-DI-CL-PH)-4H-1,2,4-TRIAZOLE-3-THIOL is C16H11BrCl2N4OS.
What is the molecular weight of 4-((3-BR-4-METHOXYBENZYLIDENE)AMINO)-5-(2,4-DI-CL-PH)-4H-1,2,4-TRIAZOLE-3-THIOL?
The molecular weight of 4-((3-BR-4-METHOXYBENZYLIDENE)AMINO)-5-(2,4-DI-CL-PH)-4H-1,2,4-TRIAZOLE-3-THIOL is 455.92 g/mol.
Where can I buy 4-((3-BR-4-METHOXYBENZYLIDENE)AMINO)-5-(2,4-DI-CL-PH)-4H-1,2,4-TRIAZOLE-3-THIOL?
You can request a quote for 4-((3-BR-4-METHOXYBENZYLIDENE)AMINO)-5-(2,4-DI-CL-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-(2,4-DI-CL-PH)-4H-1,2,4-TRIAZOLE-3-THIOL?
Yes, KEHONG BIO provides custom synthesis services for 4-((3-BR-4-METHOXYBENZYLIDENE)AMINO)-5-(2,4-DI-CL-PH)-4H-1,2,4-TRIAZOLE-3-THIOL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.