(E)-2-((4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N'-(pyridin-3-ylmethylene)acetohydrazide
TL;DR: (E)-2-((4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N'-(pyridin-3-ylmethylene)acetohydrazide (CAS 613253-25-1) is a chemical compound with molecular formula C21H16ClN7OS and molecular weight 449.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
Also Known As: (E)-2-((4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N'-(pyridin-3-ylmethylene)acetohydrazide, 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide, 2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-pyridin-3-ylmethylidene]acetohydrazide, N-((1E)-2-(3-pyridyl)-1-azavinyl)-2-[4-(4-chlorophenyl)-5-(4-pyridyl)(1,2,4-tr iazol-3-ylthio)]acetamide
| Molecular Formula | C21H16ClN7OS |
|---|---|
| Molecular Weight | 449.08 g/mol |
| LogP | 3.6201 |
| Topological Polar Surface Area | 97.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 449.08255 |
| Heavy Atoms | 31 |
| Complexity | 1181.601 |
Chemical Identifiers
| CAS Number | 613253-25-1 |
|---|---|
| SMILES | C1=CC(=CN=C1)/C=N/NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=NC=C4 |
Product Overview
(E)-2-((4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N'-(pyridin-3-ylmethylene)acetohydrazide (CAS 613253-25-1), with molecular formula C21H16ClN7OS and molecular weight 449.08 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide.
Chemical Property Profile of (E)-2-((4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N'-(pyridin-3-ylmethylene)acetohydrazide
Property Insights of (E)-2-((4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N'-(pyridin-3-ylmethylene)acetohydrazide
The XLogP value of 3.6201 indicates that (E)-2-((4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N'-(pyridin-3-ylmethylene)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.95 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-((4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N'-(pyridin-3-ylmethylene)acetohydrazide. Following Lipinski's Rule of Five, (E)-2-((4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N'-(pyridin-3-ylmethylene)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-((4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N'-(pyridin-3-ylmethylene)acetohydrazide?
The CAS number of (E)-2-((4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N'-(pyridin-3-ylmethylene)acetohydrazide is 613253-25-1.
What is the molecular formula of (E)-2-((4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N'-(pyridin-3-ylmethylene)acetohydrazide?
The molecular formula of (E)-2-((4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N'-(pyridin-3-ylmethylene)acetohydrazide is C21H16ClN7OS.
What is the molecular weight of (E)-2-((4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N'-(pyridin-3-ylmethylene)acetohydrazide?
The molecular weight of (E)-2-((4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N'-(pyridin-3-ylmethylene)acetohydrazide is 449.08 g/mol.
Where can I buy (E)-2-((4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N'-(pyridin-3-ylmethylene)acetohydrazide?
You can request a quote for (E)-2-((4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N'-(pyridin-3-ylmethylene)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-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N'-(pyridin-3-ylmethylene)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N'-(pyridin-3-ylmethylene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.