(E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-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-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate (CAS 497245-34-8) is a chemical compound with molecular formula C17H19N9O4 and molecular weight 413.16 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-[(dimethylamino)methyl]triazole-4-carbonyl]hydrazinylidene]methyl]benzoate
Also Known As: (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate, methyl 4-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(dimethylaminomethyl)triazole-4-carbonyl]hydrazinylidene]methyl]benzoate, methyl 4-{(E)-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}benzoate
| Molecular Formula | C17H19N9O4 |
|---|---|
| Molecular Weight | 413.16 g/mol |
| LogP | -0.1554 |
| Topological Polar Surface Area | 166.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.156 |
| Heavy Atoms | 30 |
| Complexity | 1069.3468 |
Chemical Identifiers
| CAS Number | 497245-34-8 |
|---|---|
| SMILES | CN(C)CC1=C(N=NN1C2=NON=C2N)C(=O)N/N=C/C3=CC=C(C=C3)C(=O)OC |
Product Overview
(E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate (CAS 497245-34-8), with molecular formula C17H19N9O4 and molecular weight 413.16 g/mol. IUPAC: methyl 4-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]triazole-4-carbonyl]hydrazinylidene]methyl]benzoate.
Chemical Property Profile of (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-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-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate
The XLogP value of -0.1554 indicates that (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 166.65 Ų indicates high polarity, suggesting (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-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-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate has 2 hydrogen bond donor(s) and 11 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-((dimethylamino)methyl)-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-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate is 497245-34-8.
What is the molecular formula of (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-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-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate is C17H19N9O4.
What is the molecular weight of (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-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-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate is 413.16 g/mol.
Where can I buy (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-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-((dimethylamino)methyl)-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-((dimethylamino)methyl)-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-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.