(E)-2-((2-(2-((5-phenyl-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid
TL;DR: (E)-2-((2-(2-((5-phenyl-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid (CAS 315230-62-7) is a chemical compound with molecular formula C25H21N5O3S and molecular weight 471.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid
Also Known As: (E)-2-((2-(2-((5-phenyl-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid, 2-((1E)-2-{2-[4-(4-methylphenyl)-5-phenyl(1,2,4-triazol-3-ylthio)]acetylamino} -2-azavinyl)benzoic acid, 2-[(E)-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid, 2-{[2-(5-Phenyl-4-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetyl]-hydrazonomethyl}-benzoic acid
| Molecular Formula | C25H21N5O3S |
|---|---|
| Molecular Weight | 471.14 g/mol |
| LogP | 4.18332 |
| Topological Polar Surface Area | 109.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 471.1365 |
| Heavy Atoms | 34 |
| Complexity | 1334.4355 |
Chemical Identifiers
| CAS Number | 315230-62-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N/N=C/C3=CC=CC=C3C(=O)O)C4=CC=CC=C4 |
Product Overview
(E)-2-((2-(2-((5-phenyl-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid (CAS 315230-62-7), with molecular formula C25H21N5O3S and molecular weight 471.14 g/mol. IUPAC: 2-[(E)-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid.
Chemical Property Profile of (E)-2-((2-(2-((5-phenyl-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid
Property Insights of (E)-2-((2-(2-((5-phenyl-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid
The XLogP value of 4.18332 indicates that (E)-2-((2-(2-((5-phenyl-4-(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 109.47 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-((2-(2-((5-phenyl-4-(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-((5-phenyl-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid has 2 hydrogen bond donor(s) and 6 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)-2-((2-(2-((5-phenyl-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid?
The CAS number of (E)-2-((2-(2-((5-phenyl-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid is 315230-62-7.
What is the molecular formula of (E)-2-((2-(2-((5-phenyl-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid?
The molecular formula of (E)-2-((2-(2-((5-phenyl-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid is C25H21N5O3S.
What is the molecular weight of (E)-2-((2-(2-((5-phenyl-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid?
The molecular weight of (E)-2-((2-(2-((5-phenyl-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid is 471.14 g/mol.
Where can I buy (E)-2-((2-(2-((5-phenyl-4-(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-((5-phenyl-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-((2-(2-((5-phenyl-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((2-(2-((5-phenyl-4-(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.