(E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-fluorobenzylidene)acetohydrazide
TL;DR: (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-fluorobenzylidene)acetohydrazide (CAS 489398-26-7) is a chemical compound with molecular formula C23H16Cl2FN5OS and molecular weight 499.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide
Also Known As: (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-fluorobenzylidene)acetohydrazide, 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide
| Molecular Formula | C23H16Cl2FN5OS |
|---|---|
| Molecular Weight | 499.04 g/mol |
| LogP | 5.6226 |
| Topological Polar Surface Area | 72.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 499.04367 |
| Heavy Atoms | 33 |
| Complexity | 1275.9669 |
Chemical Identifiers
| CAS Number | 489398-26-7 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=N/NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)F |
Product Overview
(E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-fluorobenzylidene)acetohydrazide (CAS 489398-26-7), with molecular formula C23H16Cl2FN5OS and molecular weight 499.04 g/mol. IUPAC: 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide.
Chemical Property Profile of (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-fluorobenzylidene)acetohydrazide
Property Insights of (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-fluorobenzylidene)acetohydrazide
The XLogP value of 5.6226 indicates that (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-fluorobenzylidene)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.17 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-fluorobenzylidene)acetohydrazide. Following Lipinski's Rule of Five, (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-fluorobenzylidene)acetohydrazide has 1 hydrogen bond donor(s) and 5 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-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-fluorobenzylidene)acetohydrazide?
The CAS number of (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-fluorobenzylidene)acetohydrazide is 489398-26-7.
What is the molecular formula of (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-fluorobenzylidene)acetohydrazide?
The molecular formula of (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-fluorobenzylidene)acetohydrazide is C23H16Cl2FN5OS.
What is the molecular weight of (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-fluorobenzylidene)acetohydrazide?
The molecular weight of (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-fluorobenzylidene)acetohydrazide is 499.04 g/mol.
Where can I buy (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-fluorobenzylidene)acetohydrazide?
You can request a quote for (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-fluorobenzylidene)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-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-fluorobenzylidene)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-fluorobenzylidene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.