![2-{(E)-[2-({[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid structure](/static/products/487/487020-99-5.png)
2-{(E)-[2-({[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
TL;DR: 2-{(E)-[2-({[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid (CAS 487020-99-5) is a chemical compound with molecular formula C24H18BrN5O3S and molecular weight 535.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-[[2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid
Also Known As: 2-{(E)-[2-({[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid, (E)-2-((2-(2-((4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid, 2-((1E)-2-{2-[4-(4-bromophenyl)-5-phenyl(1,2,4-triazol-3-ylthio)]acetylamino}- 2-azavinyl)benzoic acid, 2-[(E)-[[2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid
| Molecular Formula | C24H18BrN5O3S |
|---|---|
| Molecular Weight | 535.03 g/mol |
| LogP | 4.6374 |
| Topological Polar Surface Area | 109.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 535.0314 |
| Heavy Atoms | 34 |
| Complexity | 1340.4928 |
Chemical Identifiers
| CAS Number | 487020-99-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)SCC(=O)N/N=C/C4=CC=CC=C4C(=O)O |
Product Overview
2-{(E)-[2-({[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid (CAS 487020-99-5), with molecular formula C24H18BrN5O3S and molecular weight 535.03 g/mol. IUPAC: 2-[(E)-[[2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid.
Chemical Property Profile of 2-{(E)-[2-({[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
Property Insights of 2-{(E)-[2-({[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
The XLogP value of 4.6374 indicates that 2-{(E)-[2-({[4-(4-bromophenyl)-5-phenyl-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-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid. Following Lipinski's Rule of Five, 2-{(E)-[2-({[4-(4-bromophenyl)-5-phenyl-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-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid?
The CAS number of 2-{(E)-[2-({[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid is 487020-99-5.
What is the molecular formula of 2-{(E)-[2-({[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid?
The molecular formula of 2-{(E)-[2-({[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid is C24H18BrN5O3S.
What is the molecular weight of 2-{(E)-[2-({[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid?
The molecular weight of 2-{(E)-[2-({[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid is 535.03 g/mol.
Where can I buy 2-{(E)-[2-({[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid?
You can request a quote for 2-{(E)-[2-({[4-(4-bromophenyl)-5-phenyl-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-bromophenyl)-5-phenyl-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-bromophenyl)-5-phenyl-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.