(E)-4-((2-(2-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate
TL;DR: (E)-4-((2-(2-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate (CAS 303206-55-5) is a chemical compound with molecular formula C26H22ClN5O4S and molecular weight 535.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-[[2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate
Also Known As: (E)-4-((2-(2-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate, [4-[(E)-[[2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate, 4-((1E)-2-{2-[4-(4-chlorophenyl)-5-phenyl(1,2,4-triazol-3-ylthio)]acetylamino} -2-azavinyl)-2-methoxyphenyl acetate, 4-[(E)-[(2-{[4-(4-CHLOROPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDO)IMINO]METHYL]-2-METHOXYPHENYL ACETATE, 4-{(E)-[({[4-(4-CHLOROPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETYL)HYDRAZONO]METHYL}-2-METHOXYPHENYL ACETATE
| Molecular Formula | C26H22ClN5O4S |
|---|---|
| Molecular Weight | 535.11 g/mol |
| LogP | 4.764 |
| Topological Polar Surface Area | 107.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 535.1081 |
| Heavy Atoms | 37 |
| Complexity | 1424.92 |
Chemical Identifiers
| CAS Number | 303206-55-5 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)/C=N/NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)OC |
Product Overview
(E)-4-((2-(2-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate (CAS 303206-55-5), with molecular formula C26H22ClN5O4S and molecular weight 535.11 g/mol. IUPAC: [4-[(E)-[[2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate.
Chemical Property Profile of (E)-4-((2-(2-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate
Property Insights of (E)-4-((2-(2-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate
The XLogP value of 4.764 indicates that (E)-4-((2-(2-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((2-(2-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate. Following Lipinski's Rule of Five, (E)-4-((2-(2-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate has 1 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-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate?
The CAS number of (E)-4-((2-(2-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate is 303206-55-5.
What is the molecular formula of (E)-4-((2-(2-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate?
The molecular formula of (E)-4-((2-(2-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate is C26H22ClN5O4S.
What is the molecular weight of (E)-4-((2-(2-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate?
The molecular weight of (E)-4-((2-(2-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate is 535.11 g/mol.
Where can I buy (E)-4-((2-(2-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate?
You can request a quote for (E)-4-((2-(2-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate 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-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((2-(2-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.