(E)-4-((2-(2-((4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid
TL;DR: (E)-4-((2-(2-((4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid (CAS 406464-71-9) is a chemical compound with molecular formula C26H23N5O5S and molecular weight 517.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-[[2-[[4,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid
Also Known As: (E)-4-((2-(2-((4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid, 4-[(E)-[[2-[[4,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid, 4-{(E)-[2-({[4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
| Molecular Formula | C26H23N5O5S |
|---|---|
| Molecular Weight | 517.14 g/mol |
| LogP | 3.8921 |
| Topological Polar Surface Area | 127.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 517.14197 |
| Heavy Atoms | 37 |
| Complexity | 1401.0603 |
Chemical Identifiers
| CAS Number | 406464-71-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)N/N=C/C4=CC=C(C=C4)C(=O)O |
Product Overview
(E)-4-((2-(2-((4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid (CAS 406464-71-9), with molecular formula C26H23N5O5S and molecular weight 517.14 g/mol. IUPAC: 4-[(E)-[[2-[[4,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid.
Chemical Property Profile of (E)-4-((2-(2-((4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid
Property Insights of (E)-4-((2-(2-((4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid
The XLogP value of 3.8921 indicates that (E)-4-((2-(2-((4,5-bis(4-methoxyphenyl)-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 127.93 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((2-(2-((4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid. Following Lipinski's Rule of Five, (E)-4-((2-(2-((4,5-bis(4-methoxyphenyl)-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), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-4-((2-(2-((4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid?
The CAS number of (E)-4-((2-(2-((4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid is 406464-71-9.
What is the molecular formula of (E)-4-((2-(2-((4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid?
The molecular formula of (E)-4-((2-(2-((4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid is C26H23N5O5S.
What is the molecular weight of (E)-4-((2-(2-((4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid?
The molecular weight of (E)-4-((2-(2-((4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid is 517.14 g/mol.
Where can I buy (E)-4-((2-(2-((4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid?
You can request a quote for (E)-4-((2-(2-((4,5-bis(4-methoxyphenyl)-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)-4-((2-(2-((4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((2-(2-((4,5-bis(4-methoxyphenyl)-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.