(E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2-methylbenzylidene)acetohydrazide
TL;DR: (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2-methylbenzylidene)acetohydrazide (CAS 347908-62-7) is a chemical compound with molecular formula C19H18N6O3S and molecular weight 410.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
Also Known As: (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2-methylbenzylidene)acetohydrazide, 2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2-methylphenyl)methylideneamino]acetamide, 2-{[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-methylphenyl)methylidene]acetohydrazide
| Molecular Formula | C19H18N6O3S |
|---|---|
| Molecular Weight | 410.12 g/mol |
| LogP | 2.94112 |
| Topological Polar Surface Area | 115.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 410.11612 |
| Heavy Atoms | 29 |
| Complexity | 1079.3114 |
Chemical Identifiers
| CAS Number | 347908-62-7 |
|---|---|
| SMILES | CC1=CC=CC=C1/C=N/NC(=O)CSC2=NN=C(N2C)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
(E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2-methylbenzylidene)acetohydrazide (CAS 347908-62-7), with molecular formula C19H18N6O3S and molecular weight 410.12 g/mol. IUPAC: 2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2-methylphenyl)methylideneamino]acetamide.
Chemical Property Profile of (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2-methylbenzylidene)acetohydrazide
Property Insights of (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2-methylbenzylidene)acetohydrazide
The XLogP value of 2.94112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2-methylbenzylidene)acetohydrazide. The TPSA of 115.31 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2-methylbenzylidene)acetohydrazide. Following Lipinski's Rule of Five, (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2-methylbenzylidene)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-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2-methylbenzylidene)acetohydrazide?
The CAS number of (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2-methylbenzylidene)acetohydrazide is 347908-62-7.
What is the molecular formula of (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2-methylbenzylidene)acetohydrazide?
The molecular formula of (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2-methylbenzylidene)acetohydrazide is C19H18N6O3S.
What is the molecular weight of (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2-methylbenzylidene)acetohydrazide?
The molecular weight of (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2-methylbenzylidene)acetohydrazide is 410.12 g/mol.
Where can I buy (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2-methylbenzylidene)acetohydrazide?
You can request a quote for (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2-methylbenzylidene)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-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2-methylbenzylidene)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2-methylbenzylidene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.