(E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethoxybenzylidene)acetohydrazide
TL;DR: (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethoxybenzylidene)acetohydrazide (CAS 488723-98-4) is a chemical compound with molecular formula C23H27N5O4S and molecular weight 469.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3,4-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide
Also Known As: (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethoxybenzylidene)acetohydrazide, 2-[[5-(3,4-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide, 2-{[5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-ethoxyphenyl)methylidene]acetohydrazide, N-[(1E)-2-(4-ethoxyphenyl)-1-azavinyl]-2-[5-(3,4-dimethoxyphenyl)-4-ethyl(1,2, 4-triazol-3-ylthio)]acetamide
| Molecular Formula | C23H27N5O4S |
|---|---|
| Molecular Weight | 469.18 g/mol |
| LogP | 3.6233 |
| Topological Polar Surface Area | 99.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 469.17838 |
| Heavy Atoms | 33 |
| Complexity | 1098.7312 |
Chemical Identifiers
| CAS Number | 488723-98-4 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N/N=C/C2=CC=C(C=C2)OCC)C3=CC(=C(C=C3)OC)OC |
Product Overview
(E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethoxybenzylidene)acetohydrazide (CAS 488723-98-4), with molecular formula C23H27N5O4S and molecular weight 469.18 g/mol. IUPAC: 2-[[5-(3,4-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide.
Chemical Property Profile of (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethoxybenzylidene)acetohydrazide
Property Insights of (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethoxybenzylidene)acetohydrazide
The XLogP value of 3.6233 indicates that (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethoxybenzylidene)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.86 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethoxybenzylidene)acetohydrazide. Following Lipinski's Rule of Five, (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethoxybenzylidene)acetohydrazide 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-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethoxybenzylidene)acetohydrazide?
The CAS number of (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethoxybenzylidene)acetohydrazide is 488723-98-4.
What is the molecular formula of (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethoxybenzylidene)acetohydrazide?
The molecular formula of (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethoxybenzylidene)acetohydrazide is C23H27N5O4S.
What is the molecular weight of (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethoxybenzylidene)acetohydrazide?
The molecular weight of (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethoxybenzylidene)acetohydrazide is 469.18 g/mol.
Where can I buy (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethoxybenzylidene)acetohydrazide?
You can request a quote for (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethoxybenzylidene)acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethoxybenzylidene)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethoxybenzylidene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.