(E)-ethyl 2-((4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-2-(2-phenylhydrazono)acetate
TL;DR: (E)-ethyl 2-((4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-2-(2-phenylhydrazono)acetate (CAS 524033-01-0) is a chemical compound with molecular formula C25H21Cl2N5O2S and molecular weight 525.0793 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (2E)-2-[[4-benzyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(phenylhydrazinylidene)acetate
Also Known As: (E)-ethyl 2-((4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-2-(2-phenylhydrazono)acetate, ethyl (2E)-{[4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}(2-phenylhydrazinylidene)ethanoate, ethyl (2E)-2-[[4-benzyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(phenylhydrazinylidene)acetate, ETHYL 2-{[4-BENZYL-5-(2,4-DICHLOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-2-[(E)-2-PHENYLHYDRAZONO]ACETATE
Technical Specifications
| Molecular Formula | C25H21Cl2N5O2S |
| Molecular Weight | 525.0793 g/mol |
| XLogP | 7.9 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 525.0793 Da |
| Heavy Atoms | 35 |
| Complexity | 705.0 |
| SMILES | CCOC(=O)/C(=N\NC1=CC=CC=C1)/SC2=NN=C(N2CC3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl |
| InChIKey | VTEXTQTUQDQOOQ-JJKYIXSRSA-N |
Chemical Property Profile of (E)-ethyl 2-((4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-2-(2-phenylhydrazono)acetate
Property Insights of (E)-ethyl 2-((4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-2-(2-phenylhydrazono)acetate
The XLogP value of 7.9 indicates that (E)-ethyl 2-((4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-2-(2-phenylhydrazono)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 2-((4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-2-(2-phenylhydrazono)acetate. Following Lipinski's Rule of Five, (E)-ethyl 2-((4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-2-(2-phenylhydrazono)acetate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (E)-ethyl 2-((4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-2-(2-phenylhydrazono)acetate?
The CAS number of (E)-ethyl 2-((4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-2-(2-phenylhydrazono)acetate is 524033-01-0.
What is the molecular formula of (E)-ethyl 2-((4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-2-(2-phenylhydrazono)acetate?
The molecular formula of (E)-ethyl 2-((4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-2-(2-phenylhydrazono)acetate is C25H21Cl2N5O2S.
What is the molecular weight of (E)-ethyl 2-((4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-2-(2-phenylhydrazono)acetate?
The molecular weight of (E)-ethyl 2-((4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-2-(2-phenylhydrazono)acetate is 525.0793 g/mol.
Where can I buy (E)-ethyl 2-((4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-2-(2-phenylhydrazono)acetate?
You can request a quote for (E)-ethyl 2-((4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-2-(2-phenylhydrazono)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-ethyl 2-((4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-2-(2-phenylhydrazono)acetate?
Yes, CoreyChem provides custom synthesis services for (E)-ethyl 2-((4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-2-(2-phenylhydrazono)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.