(E)-2-ethoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzoate
TL;DR: (E)-2-ethoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzoate (CAS 577988-50-2) is a chemical compound with molecular formula C21H20ClN5O4S and molecular weight 473.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-ethoxy-4-[(E)-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Also Known As: (E)-2-ethoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzoate, [2-ethoxy-4-[(E)-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate, 2-ethoxy-4-[(E)-(2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]phenyl 4-chlorobenzoate, 4-Chloro-benzoic acid 2-ethoxy-4-{[2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetyl]-hydrazonomethyl}-phenyl ester
| Molecular Formula | C21H20ClN5O4S |
|---|---|
| Molecular Weight | 473.09 g/mol |
| LogP | 3.3288 |
| Topological Polar Surface Area | 107.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 473.09244 |
| Heavy Atoms | 32 |
| Complexity | 1117.6327 |
Chemical Identifiers
| CAS Number | 577988-50-2 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=N/NC(=O)CSC2=NN=CN2C)OC(=O)C3=CC=C(C=C3)Cl |
Product Overview
(E)-2-ethoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzoate (CAS 577988-50-2), with molecular formula C21H20ClN5O4S and molecular weight 473.09 g/mol. IUPAC: [2-ethoxy-4-[(E)-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate.
Chemical Property Profile of (E)-2-ethoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzoate
Property Insights of (E)-2-ethoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzoate
The XLogP value of 3.3288 indicates that (E)-2-ethoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzoate 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)-2-ethoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzoate. Following Lipinski's Rule of Five, (E)-2-ethoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzoate has 1 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-ethoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzoate?
The CAS number of (E)-2-ethoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzoate is 577988-50-2.
What is the molecular formula of (E)-2-ethoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzoate?
The molecular formula of (E)-2-ethoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzoate is C21H20ClN5O4S.
What is the molecular weight of (E)-2-ethoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzoate?
The molecular weight of (E)-2-ethoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzoate is 473.09 g/mol.
Where can I buy (E)-2-ethoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzoate?
You can request a quote for (E)-2-ethoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-ethoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-ethoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.