(E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3,4,5-trimethoxybenzylidene)acetohydrazide
TL;DR: (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3,4,5-trimethoxybenzylidene)acetohydrazide (CAS 347909-99-3) is a chemical compound with molecular formula C21H22N6O6S and molecular weight 486.13 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)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
Also Known As: (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3,4,5-trimethoxybenzylidene)acetohydrazide, 2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide, 2-{[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide
| Molecular Formula | C21H22N6O6S |
|---|---|
| Molecular Weight | 486.13 g/mol |
| LogP | 2.6585 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 486.13214 |
| Heavy Atoms | 34 |
| Complexity | 1203.208 |
Chemical Identifiers
| CAS Number | 347909-99-3 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N/N=C/C2=CC(=C(C(=C2)OC)OC)OC)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'-(3,4,5-trimethoxybenzylidene)acetohydrazide (CAS 347909-99-3), with molecular formula C21H22N6O6S and molecular weight 486.13 g/mol. IUPAC: 2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide.
Chemical Property Profile of (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3,4,5-trimethoxybenzylidene)acetohydrazide
Property Insights of (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3,4,5-trimethoxybenzylidene)acetohydrazide
The XLogP value of 2.6585 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'-(3,4,5-trimethoxybenzylidene)acetohydrazide. The TPSA of 143.0 Ų indicates high polarity, suggesting (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3,4,5-trimethoxybenzylidene)acetohydrazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3,4,5-trimethoxybenzylidene)acetohydrazide has 1 hydrogen bond donor(s) and 10 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'-(3,4,5-trimethoxybenzylidene)acetohydrazide?
The CAS number of (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3,4,5-trimethoxybenzylidene)acetohydrazide is 347909-99-3.
What is the molecular formula of (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3,4,5-trimethoxybenzylidene)acetohydrazide?
The molecular formula of (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3,4,5-trimethoxybenzylidene)acetohydrazide is C21H22N6O6S.
What is the molecular weight of (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3,4,5-trimethoxybenzylidene)acetohydrazide?
The molecular weight of (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3,4,5-trimethoxybenzylidene)acetohydrazide is 486.13 g/mol.
Where can I buy (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3,4,5-trimethoxybenzylidene)acetohydrazide?
You can request a quote for (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3,4,5-trimethoxybenzylidene)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'-(3,4,5-trimethoxybenzylidene)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'-(3,4,5-trimethoxybenzylidene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.