![2-{(E)-[2-({[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid structure](/static/products/497/497950-29-5.png)
2-{(E)-[2-({[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
TL;DR: 2-{(E)-[2-({[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid (CAS 497950-29-5) is a chemical compound with molecular formula C25H20ClN5O3S and molecular weight 505.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-[[2-[[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid
Also Known As: 2-{(E)-[2-({[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid, (E)-2-((2-(2-((4-(4-chlorophenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid, 2-((1E)-2-{2-[4-(4-chlorophenyl)-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]ac etylamino}-2-azavinyl)benzoic acid, 2-({2-[4-(4-Chloro-phenyl)-5-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetyl}-hydrazonomethyl)-benzoic acid, 2-[(E)-[[2-[[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid
| Molecular Formula | C25H20ClN5O3S |
|---|---|
| Molecular Weight | 505.10 g/mol |
| LogP | 4.83672 |
| Topological Polar Surface Area | 109.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 505.09753 |
| Heavy Atoms | 35 |
| Complexity | 1385.245 |
Chemical Identifiers
| CAS Number | 497950-29-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)N/N=C/C4=CC=CC=C4C(=O)O |
Product Overview
2-{(E)-[2-({[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid (CAS 497950-29-5), with molecular formula C25H20ClN5O3S and molecular weight 505.10 g/mol. IUPAC: 2-[(E)-[[2-[[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid.
Chemical Property Profile of 2-{(E)-[2-({[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
Property Insights of 2-{(E)-[2-({[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
The XLogP value of 4.83672 indicates that 2-{(E)-[2-({[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]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 2-{(E)-[2-({[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid. Following Lipinski's Rule of Five, 2-{(E)-[2-({[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{(E)-[2-({[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid?
The CAS number of 2-{(E)-[2-({[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid is 497950-29-5.
What is the molecular formula of 2-{(E)-[2-({[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid?
The molecular formula of 2-{(E)-[2-({[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid is C25H20ClN5O3S.
What is the molecular weight of 2-{(E)-[2-({[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid?
The molecular weight of 2-{(E)-[2-({[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid is 505.10 g/mol.
Where can I buy 2-{(E)-[2-({[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid?
You can request a quote for 2-{(E)-[2-({[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]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 2-{(E)-[2-({[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{(E)-[2-({[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.