(E)-4-((2,4-dichlorobenzylidene)amino)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-4-((2,4-dichlorobenzylidene)amino)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 496771-86-9) is a chemical compound with molecular formula C17H14Cl2N4O2S and molecular weight 408.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((2,4-dichlorobenzylidene)amino)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-((2,4-DICHLOROBENZYLIDENE)AMINO)-5-(3,4-DI-MEO-PH)-4H-1,2,4-TRIAZOLE-3-THIOL, 4-[(1E)-2-(2,4-dichlorophenyl)-1-azavinyl]-5-(3,4-dimethoxyphenyl)-1,2,4-triaz ole-3-thiol, 4-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione, 4-{[(E)-(2,4-dichlorophenyl)methylidene]amino}-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C17H14Cl2N4O2S |
|---|---|
| Molecular Weight | 408.02 g/mol |
| LogP | 4.81389 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.02145 |
| Heavy Atoms | 26 |
| Complexity | 1029.8427 |
Chemical Identifiers
| CAS Number | 496771-86-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NNC(=S)N2/N=C/C3=C(C=C(C=C3)Cl)Cl)OC |
Product Overview
(E)-4-((2,4-dichlorobenzylidene)amino)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 496771-86-9), with molecular formula C17H14Cl2N4O2S and molecular weight 408.02 g/mol. IUPAC: 4-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-4-((2,4-dichlorobenzylidene)amino)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-4-((2,4-dichlorobenzylidene)amino)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.81389 indicates that (E)-4-((2,4-dichlorobenzylidene)amino)-5-(3,4-dimethoxyphenyl)-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 (E)-4-((2,4-dichlorobenzylidene)amino)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, (E)-4-((2,4-dichlorobenzylidene)amino)-5-(3,4-dimethoxyphenyl)-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 (E)-4-((2,4-dichlorobenzylidene)amino)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-4-((2,4-dichlorobenzylidene)amino)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol is 496771-86-9.
What is the molecular formula of (E)-4-((2,4-dichlorobenzylidene)amino)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-4-((2,4-dichlorobenzylidene)amino)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol is C17H14Cl2N4O2S.
What is the molecular weight of (E)-4-((2,4-dichlorobenzylidene)amino)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-4-((2,4-dichlorobenzylidene)amino)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol is 408.02 g/mol.
Where can I buy (E)-4-((2,4-dichlorobenzylidene)amino)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-4-((2,4-dichlorobenzylidene)amino)-5-(3,4-dimethoxyphenyl)-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-dichlorobenzylidene)amino)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((2,4-dichlorobenzylidene)amino)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.