(E)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)-2-((5-phenyl-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
TL;DR: (E)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)-2-((5-phenyl-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide (CAS 314072-03-2) is a chemical compound with molecular formula C23H22N6OS and molecular weight 430.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
Also Known As: (E)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)-2-((5-phenyl-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, 2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide, 2-{[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide, N-[(1E)-2-(1-methylpyrrol-2-yl)-1-azavinyl]-2-[4-(4-methylphenyl)-5-phenyl(1,2 ,4-triazol-3-ylthio)]acetamide
| Molecular Formula | C23H22N6OS |
|---|---|
| Molecular Weight | 430.16 g/mol |
| LogP | 3.82362 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 430.1576 |
| Heavy Atoms | 31 |
| Complexity | 1194.552 |
Chemical Identifiers
| CAS Number | 314072-03-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N/N=C/C3=CC=CN3C)C4=CC=CC=C4 |
Product Overview
(E)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)-2-((5-phenyl-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide (CAS 314072-03-2), with molecular formula C23H22N6OS and molecular weight 430.16 g/mol. IUPAC: 2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide.
Chemical Property Profile of (E)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)-2-((5-phenyl-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
Property Insights of (E)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)-2-((5-phenyl-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
The XLogP value of 3.82362 indicates that (E)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)-2-((5-phenyl-4-(p-tolyl)-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 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)-2-((5-phenyl-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide. Following Lipinski's Rule of Five, (E)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)-2-((5-phenyl-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)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 (E)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)-2-((5-phenyl-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The CAS number of (E)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)-2-((5-phenyl-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is 314072-03-2.
What is the molecular formula of (E)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)-2-((5-phenyl-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The molecular formula of (E)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)-2-((5-phenyl-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is C23H22N6OS.
What is the molecular weight of (E)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)-2-((5-phenyl-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The molecular weight of (E)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)-2-((5-phenyl-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is 430.16 g/mol.
Where can I buy (E)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)-2-((5-phenyl-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
You can request a quote for (E)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)-2-((5-phenyl-4-(p-tolyl)-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'-((1-methyl-1H-pyrrol-2-yl)methylene)-2-((5-phenyl-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)-2-((5-phenyl-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.