(E)-2-((2-(2-((4-cyclohexyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid
TL;DR: (E)-2-((2-(2-((4-cyclohexyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid (CAS 497169-93-4) is a chemical compound with molecular formula C25H27N5O3S and molecular weight 477.18347 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(E)-[[2-[[4-cyclohexyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid
Also Known As: (E)-2-((2-(2-((4-cyclohexyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid, 2-((1E)-2-{2-[4-cyclohexyl-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]acetylam ino}-2-azavinyl)benzoic acid, 2-{(E)-[2-({[4-cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
Technical Specifications
| Molecular Formula | C25H27N5O3S |
| Molecular Weight | 477.18347 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 477.18347 Da |
| Heavy Atoms | 34 |
| Complexity | 709.0 |
| SMILES | CC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)N/N=C/C4=CC=CC=C4C(=O)O |
| InChIKey | XMIWPIRHONWOLR-CVKSISIWSA-N |
Chemical Property Profile of (E)-2-((2-(2-((4-cyclohexyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid
Property Insights of (E)-2-((2-(2-((4-cyclohexyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid
The XLogP value of 4.5 indicates that (E)-2-((2-(2-((4-cyclohexyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-((2-(2-((4-cyclohexyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid. Following Lipinski's Rule of Five, (E)-2-((2-(2-((4-cyclohexyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (E)-2-((2-(2-((4-cyclohexyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid?
The CAS number of (E)-2-((2-(2-((4-cyclohexyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid is 497169-93-4.
What is the molecular formula of (E)-2-((2-(2-((4-cyclohexyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid?
The molecular formula of (E)-2-((2-(2-((4-cyclohexyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid is C25H27N5O3S.
What is the molecular weight of (E)-2-((2-(2-((4-cyclohexyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid?
The molecular weight of (E)-2-((2-(2-((4-cyclohexyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid is 477.18347 g/mol.
Where can I buy (E)-2-((2-(2-((4-cyclohexyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid?
You can request a quote for (E)-2-((2-(2-((4-cyclohexyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-2-((2-(2-((4-cyclohexyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for (E)-2-((2-(2-((4-cyclohexyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.