(E)-ethyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(m-tolyl)hydrazono)acetate
TL;DR: (E)-ethyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(m-tolyl)hydrazono)acetate (CAS 668439-07-4) is a chemical compound with molecular formula C21H23N5O3S and molecular weight 425.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-[(3-methylphenyl)hydrazinylidene]acetate
Also Known As: (E)-ethyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(m-tolyl)hydrazono)acetate, ethyl (2E)-{[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}[2-(3-methylphenyl)hydrazinylidene]ethanoate, ethyl (2E)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-[(3-methylphenyl)hydrazinylidene]acetate
| Molecular Formula | C21H23N5O3S |
|---|---|
| Molecular Weight | 425.15 g/mol |
| LogP | 3.87992 |
| Topological Polar Surface Area | 90.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.15216 |
| Heavy Atoms | 30 |
| Complexity | 1047.0503 |
Chemical Identifiers
| CAS Number | 668439-07-4 |
|---|---|
| SMILES | CCOC(=O)/C(=N\NC1=CC=CC(=C1)C)/SC2=NN=C(N2C)C3=CC=C(C=C3)OC |
Product Overview
(E)-ethyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(m-tolyl)hydrazono)acetate (CAS 668439-07-4), with molecular formula C21H23N5O3S and molecular weight 425.15 g/mol. IUPAC: ethyl (2E)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-[(3-methylphenyl)hydrazinylidene]acetate.
Chemical Property Profile of (E)-ethyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(m-tolyl)hydrazono)acetate
Property Insights of (E)-ethyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(m-tolyl)hydrazono)acetate
The XLogP value of 3.87992 indicates that (E)-ethyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(m-tolyl)hydrazono)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.63 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(m-tolyl)hydrazono)acetate. Following Lipinski's Rule of Five, (E)-ethyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(m-tolyl)hydrazono)acetate 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)-ethyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(m-tolyl)hydrazono)acetate?
The CAS number of (E)-ethyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(m-tolyl)hydrazono)acetate is 668439-07-4.
What is the molecular formula of (E)-ethyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(m-tolyl)hydrazono)acetate?
The molecular formula of (E)-ethyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(m-tolyl)hydrazono)acetate is C21H23N5O3S.
What is the molecular weight of (E)-ethyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(m-tolyl)hydrazono)acetate?
The molecular weight of (E)-ethyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(m-tolyl)hydrazono)acetate is 425.15 g/mol.
Where can I buy (E)-ethyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(m-tolyl)hydrazono)acetate?
You can request a quote for (E)-ethyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(m-tolyl)hydrazono)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(m-tolyl)hydrazono)acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(m-tolyl)hydrazono)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.