(E)-methyl 4-((2-(2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate
TL;DR: (E)-methyl 4-((2-(2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate (CAS 361165-77-7) is a chemical compound with molecular formula C22H23N5O4S and molecular weight 453.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[[2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoate
Also Known As: (E)-methyl 4-((2-(2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate, methyl 4-((1E)-2-{2-[4-ethyl-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]acety lamino}-2-azavinyl)benzoate, methyl 4-[(E)-[[2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoate, METHYL 4-{(E)-[({[4-ETHYL-5-(4-METHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETYL)HYDRAZONO]METHYL}BENZOATE, methyl 4-{(E)-[2-({[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate
| Molecular Formula | C22H23N5O4S |
|---|---|
| Molecular Weight | 453.15 g/mol |
| LogP | 3.0026 |
| Topological Polar Surface Area | 107.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 453.14706 |
| Heavy Atoms | 32 |
| Complexity | 1094.5139 |
Chemical Identifiers
| CAS Number | 361165-77-7 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N/N=C/C2=CC=C(C=C2)C(=O)OC)C3=CC=C(C=C3)OC |
Product Overview
(E)-methyl 4-((2-(2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate (CAS 361165-77-7), with molecular formula C22H23N5O4S and molecular weight 453.15 g/mol. IUPAC: methyl 4-[(E)-[[2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoate.
Chemical Property Profile of (E)-methyl 4-((2-(2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate
Property Insights of (E)-methyl 4-((2-(2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate
The XLogP value of 3.0026 indicates that (E)-methyl 4-((2-(2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate 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)-methyl 4-((2-(2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate. Following Lipinski's Rule of Five, (E)-methyl 4-((2-(2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate 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)-methyl 4-((2-(2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate?
The CAS number of (E)-methyl 4-((2-(2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate is 361165-77-7.
What is the molecular formula of (E)-methyl 4-((2-(2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate?
The molecular formula of (E)-methyl 4-((2-(2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate is C22H23N5O4S.
What is the molecular weight of (E)-methyl 4-((2-(2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate?
The molecular weight of (E)-methyl 4-((2-(2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate is 453.15 g/mol.
Where can I buy (E)-methyl 4-((2-(2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate?
You can request a quote for (E)-methyl 4-((2-(2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 4-((2-(2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 4-((2-(2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.