(E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate
TL;DR: (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate (CAS 579443-67-7) is a chemical compound with molecular formula C20H15N9O6 and molecular weight 477.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)triazole-4-carbonyl]hydrazinylidene]methyl]benzoate
Also Known As: (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate, methyl 4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]benzoate, methyl 4-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)triazole-4-carbonyl]hydrazinylidene]methyl]benzoate
| Molecular Formula | C20H15N9O6 |
|---|---|
| Molecular Weight | 477.11 g/mol |
| LogP | 1.3582 |
| Topological Polar Surface Area | 206.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 477.11453 |
| Heavy Atoms | 35 |
| Complexity | 1424.304 |
Chemical Identifiers
| CAS Number | 579443-67-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
(E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate (CAS 579443-67-7), with molecular formula C20H15N9O6 and molecular weight 477.11 g/mol. IUPAC: methyl 4-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)triazole-4-carbonyl]hydrazinylidene]methyl]benzoate.
Chemical Property Profile of (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate
Property Insights of (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate
The XLogP value of 1.3582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate. The TPSA of 206.55 Ų indicates high polarity, suggesting (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate?
The CAS number of (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate is 579443-67-7.
What is the molecular formula of (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate?
The molecular formula of (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate is C20H15N9O6.
What is the molecular weight of (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate?
The molecular weight of (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate is 477.11 g/mol.
Where can I buy (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate?
You can request a quote for (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.