(E)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(trifluoromethyl)benzylidene)acetohydrazide
TL;DR: (E)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(trifluoromethyl)benzylidene)acetohydrazide (CAS 612827-67-5) is a chemical compound with molecular formula C25H20F3N5O2S and molecular weight 511.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
Also Known As: (E)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(trifluoromethyl)benzylidene)acetohydrazide, 2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide, 2-{[4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(trifluoromethyl)phenyl]methylidene}acetohydrazide, N-{(1E)-2-[4-(trifluoromethyl)phenyl]-1-azavinyl}-2-[4-(4-methoxyphenyl)-5-phe nyl(1,2,4-triazol-3-ylthio)]acetamide
| Molecular Formula | C25H20F3N5O2S |
|---|---|
| Molecular Weight | 511.13 g/mol |
| LogP | 5.2041 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 511.12897 |
| Heavy Atoms | 36 |
| Complexity | 1339.1298 |
Chemical Identifiers
| CAS Number | 612827-67-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N/N=C/C3=CC=C(C=C3)C(F)(F)F)C4=CC=CC=C4 |
Product Overview
(E)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(trifluoromethyl)benzylidene)acetohydrazide (CAS 612827-67-5), with molecular formula C25H20F3N5O2S and molecular weight 511.13 g/mol. IUPAC: 2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide.
Chemical Property Profile of (E)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(trifluoromethyl)benzylidene)acetohydrazide
Property Insights of (E)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(trifluoromethyl)benzylidene)acetohydrazide
The XLogP value of 5.2041 indicates that (E)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(trifluoromethyl)benzylidene)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(trifluoromethyl)benzylidene)acetohydrazide. Following Lipinski's Rule of Five, (E)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(trifluoromethyl)benzylidene)acetohydrazide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(trifluoromethyl)benzylidene)acetohydrazide?
The CAS number of (E)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(trifluoromethyl)benzylidene)acetohydrazide is 612827-67-5.
What is the molecular formula of (E)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(trifluoromethyl)benzylidene)acetohydrazide?
The molecular formula of (E)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(trifluoromethyl)benzylidene)acetohydrazide is C25H20F3N5O2S.
What is the molecular weight of (E)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(trifluoromethyl)benzylidene)acetohydrazide?
The molecular weight of (E)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(trifluoromethyl)benzylidene)acetohydrazide is 511.13 g/mol.
Where can I buy (E)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(trifluoromethyl)benzylidene)acetohydrazide?
You can request a quote for (E)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(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-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(trifluoromethyl)benzylidene)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(trifluoromethyl)benzylidene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.