(E)-2-((2-(2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid
TL;DR: (E)-2-((2-(2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid (CAS 497822-11-4) is a chemical compound with molecular formula C25H21N5O4S and molecular weight 487.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-[[2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid
Also Known As: (E)-2-((2-(2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid, 2-((1E)-2-{2-[4-(4-methoxyphenyl)-5-phenyl(1,2,4-triazol-3-ylthio)]acetylamino }-2-azavinyl)benzoic acid, 2-[(E)-[[2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid, 2-{(E)-[2-({[4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
| Molecular Formula | C25H21N5O4S |
|---|---|
| Molecular Weight | 487.13 g/mol |
| LogP | 3.8835 |
| Topological Polar Surface Area | 118.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 487.13144 |
| Heavy Atoms | 35 |
| Complexity | 1354.052 |
Chemical Identifiers
| CAS Number | 497822-11-4 |
|---|---|
| SMILES | COC1=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-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid (CAS 497822-11-4), with molecular formula C25H21N5O4S and molecular weight 487.13 g/mol. IUPAC: 2-[(E)-[[2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid.
Chemical Property Profile of (E)-2-((2-(2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid
Property Insights of (E)-2-((2-(2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid
The XLogP value of 3.8835 indicates that (E)-2-((2-(2-((4-(4-methoxyphenyl)-5-phenyl-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 118.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-((2-(2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid. Following Lipinski's Rule of Five, (E)-2-((2-(2-((4-(4-methoxyphenyl)-5-phenyl-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
Frequently Asked Questions
What is the CAS number of (E)-2-((2-(2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid?
The CAS number of (E)-2-((2-(2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid is 497822-11-4.
What is the molecular formula of (E)-2-((2-(2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid?
The molecular formula of (E)-2-((2-(2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid is C25H21N5O4S.
What is the molecular weight of (E)-2-((2-(2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid?
The molecular weight of (E)-2-((2-(2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid is 487.13 g/mol.
Where can I buy (E)-2-((2-(2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid?
You can request a quote for (E)-2-((2-(2-((4-(4-methoxyphenyl)-5-phenyl-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-((4-(4-methoxyphenyl)-5-phenyl-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-((4-(4-methoxyphenyl)-5-phenyl-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.