(E)-2-((2-(2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid
TL;DR: (E)-2-((2-(2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid (CAS 489442-55-9) is a chemical compound with molecular formula C22H23N5O5S and molecular weight 469.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-[[2-[[5-(3,4-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid
Also Known As: (E)-2-((2-(2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid, 2-((1E)-2-{2-[5-(3,4-dimethoxyphenyl)-4-ethyl(1,2,4-triazol-3-ylthio)]acetylam ino}-2-azavinyl)benzoic acid, 2-[(E)-[[2-[[5-(3,4-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid, 2-{(E)-[2-({[5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
| Molecular Formula | C22H23N5O5S |
|---|---|
| Molecular Weight | 469.14 g/mol |
| LogP | 2.9228 |
| Topological Polar Surface Area | 127.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 469.142 |
| Heavy Atoms | 33 |
| Complexity | 1177.7333 |
Chemical Identifiers
| CAS Number | 489442-55-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N/N=C/C2=CC=CC=C2C(=O)O)C3=CC(=C(C=C3)OC)OC |
Product Overview
(E)-2-((2-(2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid (CAS 489442-55-9), with molecular formula C22H23N5O5S and molecular weight 469.14 g/mol. IUPAC: 2-[(E)-[[2-[[5-(3,4-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid.
Chemical Property Profile of (E)-2-((2-(2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid
Property Insights of (E)-2-((2-(2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid
The XLogP value of 2.9228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-((2-(2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid. The TPSA of 127.93 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-((2-(2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid. Following Lipinski's Rule of Five, (E)-2-((2-(2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid has 2 hydrogen bond donor(s) and 8 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-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid?
The CAS number of (E)-2-((2-(2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid is 489442-55-9.
What is the molecular formula of (E)-2-((2-(2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid?
The molecular formula of (E)-2-((2-(2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid is C22H23N5O5S.
What is the molecular weight of (E)-2-((2-(2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid?
The molecular weight of (E)-2-((2-(2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid is 469.14 g/mol.
Where can I buy (E)-2-((2-(2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid?
You can request a quote for (E)-2-((2-(2-((5-(3,4-dimethoxyphenyl)-4-ethyl-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-(3,4-dimethoxyphenyl)-4-ethyl-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-(3,4-dimethoxyphenyl)-4-ethyl-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.