(E)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
TL;DR: (E)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide (CAS 497169-98-9) is a chemical compound with molecular formula C24H19ClFN5O2S and molecular weight 495.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: (E)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-2-{[4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide, N-[(1E)-2-(2-chloro-6-fluorophenyl)-1-azavinyl]-2-[4-(4-methoxyphenyl)-5-pheny l(1,2,4-triazol-3-ylthio)]acetamide, N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C24H19ClFN5O2S |
|---|---|
| Molecular Weight | 495.09 g/mol |
| LogP | 4.9778 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 495.0932 |
| Heavy Atoms | 34 |
| Complexity | 1292.7052 |
Chemical Identifiers
| CAS Number | 497169-98-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N/N=C/C3=C(C=CC=C3Cl)F)C4=CC=CC=C4 |
Product Overview
(E)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide (CAS 497169-98-9), with molecular formula C24H19ClFN5O2S and molecular weight 495.09 g/mol. IUPAC: N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of (E)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
Property Insights of (E)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
The XLogP value of 4.9778 indicates that (E)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)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)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide. Following Lipinski's Rule of Five, (E)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide has 1 hydrogen bond donor(s) and 6 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)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The CAS number of (E)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is 497169-98-9.
What is the molecular formula of (E)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The molecular formula of (E)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is C24H19ClFN5O2S.
What is the molecular weight of (E)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The molecular weight of (E)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is 495.09 g/mol.
Where can I buy (E)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
You can request a quote for (E)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.