![N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide structure](/static/products/488/488102-29-0.png)
N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
TL;DR: N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide (CAS 488102-29-0) is a chemical compound with molecular formula C19H16Cl2FN5OS and molecular weight 451.04 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-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide, (E)-N'-(2-chloro-6-fluorobenzylidene)-2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, N-[(1E)-2-(2-chloro-6-fluorophenyl)-1-azavinyl]-2-[5-(4-chlorophenyl)-4-ethyl( 1,2,4-triazol-3-ylthio)]acetamide, N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C19H16Cl2FN5OS |
|---|---|
| Molecular Weight | 451.04 g/mol |
| LogP | 4.6533 |
| Topological Polar Surface Area | 72.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.04367 |
| Heavy Atoms | 29 |
| Complexity | 1019.3288 |
Chemical Identifiers
| CAS Number | 488102-29-0 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N/N=C/C2=C(C=CC=C2Cl)F)C3=CC=C(C=C3)Cl |
Product Overview
N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide (CAS 488102-29-0), with molecular formula C19H16Cl2FN5OS and molecular weight 451.04 g/mol. IUPAC: N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Property Insights of N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
The XLogP value of 4.6533 indicates that N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}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 N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide. Following Lipinski's Rule of Five, N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide has 1 hydrogen bond donor(s) and 5 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 N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide?
The CAS number of N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide is 488102-29-0.
What is the molecular formula of N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide?
The molecular formula of N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide is C19H16Cl2FN5OS.
What is the molecular weight of N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide?
The molecular weight of N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide is 451.04 g/mol.
Where can I buy N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide?
You can request a quote for N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.