![4-{(E)-[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid structure](/static/products/306/306750-16-3.png)
4-{(E)-[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
TL;DR: 4-{(E)-[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid (CAS 306750-16-3) is a chemical compound with molecular formula C27H25N5O6S and molecular weight 547.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-[[2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid
Also Known As: 4-{(E)-[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid, (E)-4-((2-(2-((4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid, 4-((1E)-2-{2-[4-phenyl-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]acet ylamino}-2-azavinyl)benzoic acid, 4-[(E)-[(2-{[4-PHENYL-5-(3,4,5-TRIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDO)IMINO]METHYL]BENZOIC ACID, 4-[(E)-[[2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid
| Molecular Formula | C27H25N5O6S |
|---|---|
| Molecular Weight | 547.15 g/mol |
| LogP | 3.9007 |
| Topological Polar Surface Area | 137.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 547.1525 |
| Heavy Atoms | 39 |
| Complexity | 1463.5509 |
Chemical Identifiers
| CAS Number | 306750-16-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N/N=C/C4=CC=C(C=C4)C(=O)O |
Product Overview
4-{(E)-[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid (CAS 306750-16-3), with molecular formula C27H25N5O6S and molecular weight 547.15 g/mol. IUPAC: 4-[(E)-[[2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid.
Chemical Property Profile of 4-{(E)-[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
Property Insights of 4-{(E)-[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
The XLogP value of 3.9007 indicates that 4-{(E)-[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-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 137.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{(E)-[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid. Following Lipinski's Rule of Five, 4-{(E)-[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-{(E)-[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid?
The CAS number of 4-{(E)-[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid is 306750-16-3.
What is the molecular formula of 4-{(E)-[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid?
The molecular formula of 4-{(E)-[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid is C27H25N5O6S.
What is the molecular weight of 4-{(E)-[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid?
The molecular weight of 4-{(E)-[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid is 547.15 g/mol.
Where can I buy 4-{(E)-[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid?
You can request a quote for 4-{(E)-[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-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 4-{(E)-[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{(E)-[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-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.