(E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(2-(trifluoromethyl)benzylidene)acetohydrazide
TL;DR: (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(2-(trifluoromethyl)benzylidene)acetohydrazide (CAS 500195-80-2) is a chemical compound with molecular formula C22H22F3N5O3S and molecular weight 493.14 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)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
Also Known As: (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(2-(trifluoromethyl)benzylidene)acetohydrazide, 2-[[5-(3,4-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide, 2-{[5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[2-(trifluoromethyl)phenyl]methylidene}acetohydrazide, N-{(1E)-2-[2-(trifluoromethyl)phenyl]-1-azavinyl}-2-[5-(3,4-dimethoxyphenyl)-4 -ethyl(1,2,4-triazol-3-ylthio)]acetamide
| Molecular Formula | C22H22F3N5O3S |
|---|---|
| Molecular Weight | 493.14 g/mol |
| LogP | 4.2434 |
| Topological Polar Surface Area | 90.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 493.13956 |
| Heavy Atoms | 34 |
| Complexity | 1180.8322 |
Chemical Identifiers
| CAS Number | 500195-80-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N/N=C/C2=CC=CC=C2C(F)(F)F)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'-(2-(trifluoromethyl)benzylidene)acetohydrazide (CAS 500195-80-2), with molecular formula C22H22F3N5O3S and molecular weight 493.14 g/mol. IUPAC: 2-[[5-(3,4-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide.
Chemical Property Profile of (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(2-(trifluoromethyl)benzylidene)acetohydrazide
Property Insights of (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(2-(trifluoromethyl)benzylidene)acetohydrazide
The XLogP value of 4.2434 indicates that (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(2-(trifluoromethyl)benzylidene)acetohydrazide 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)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(2-(trifluoromethyl)benzylidene)acetohydrazide. Following Lipinski's Rule of Five, (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(2-(trifluoromethyl)benzylidene)acetohydrazide has 1 hydrogen bond donor(s) and 7 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'-(2-(trifluoromethyl)benzylidene)acetohydrazide?
The CAS number of (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(2-(trifluoromethyl)benzylidene)acetohydrazide is 500195-80-2.
What is the molecular formula of (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(2-(trifluoromethyl)benzylidene)acetohydrazide?
The molecular formula of (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(2-(trifluoromethyl)benzylidene)acetohydrazide is C22H22F3N5O3S.
What is the molecular weight of (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(2-(trifluoromethyl)benzylidene)acetohydrazide?
The molecular weight of (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(2-(trifluoromethyl)benzylidene)acetohydrazide is 493.14 g/mol.
Where can I buy (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(2-(trifluoromethyl)benzylidene)acetohydrazide?
You can request a quote for (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(2-(trifluoromethyl)benzylidene)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'-(2-(trifluoromethyl)benzylidene)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'-(2-(trifluoromethyl)benzylidene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.