(E)-ethyl 3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindoline-1-carboxylate
TL;DR: (E)-ethyl 3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindoline-1-carboxylate (CAS 488709-53-1) is a chemical compound with molecular formula C17H15N9O5 and molecular weight 425.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazole-4-carbonyl]diazenyl]-2-hydroxyindole-1-carboxylate
Also Known As: (E)-ethyl 3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindoline-1-carboxylate, ethyl (3E)-3-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazole-4-carbonyl]hydrazinylidene]-2-oxoindole-1-carboxylate, ethyl (3Z)-3-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)-2-oxo-2,3-dihydro-1H-indole-1-carboxylate, ethyl (3Z)-3-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazole-4-carbonyl]hydrazinylidene]-2-oxoindole-1-carboxylate, ethyl 3-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazole-4-carbonyl]hydrazinylidene]-2-oxoindole-1-carboxylate
| Molecular Formula | C17H15N9O5 |
|---|---|
| Molecular Weight | 425.12 g/mol |
| LogP | 2.12992 |
| Topological Polar Surface Area | 188.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.11963 |
| Heavy Atoms | 31 |
| Complexity | 1333.2175 |
Chemical Identifiers
| CAS Number | 488709-53-1 |
|---|---|
| SMILES | CCOC(=O)N1C2=CC=CC=C2C(=C1O)N=NC(=O)C3=C(N(N=N3)C4=NON=C4N)C |
Product Overview
(E)-ethyl 3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindoline-1-carboxylate (CAS 488709-53-1), with molecular formula C17H15N9O5 and molecular weight 425.12 g/mol. IUPAC: ethyl 3-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazole-4-carbonyl]diazenyl]-2-hydroxyindole-1-carboxylate.
Chemical Property Profile of (E)-ethyl 3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindoline-1-carboxylate
Property Insights of (E)-ethyl 3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindoline-1-carboxylate
The XLogP value of 2.12992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-ethyl 3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindoline-1-carboxylate. The TPSA of 188.9 Ų indicates high polarity, suggesting (E)-ethyl 3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindoline-1-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-ethyl 3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindoline-1-carboxylate 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)-ethyl 3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindoline-1-carboxylate?
The CAS number of (E)-ethyl 3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindoline-1-carboxylate is 488709-53-1.
What is the molecular formula of (E)-ethyl 3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindoline-1-carboxylate?
The molecular formula of (E)-ethyl 3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindoline-1-carboxylate is C17H15N9O5.
What is the molecular weight of (E)-ethyl 3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindoline-1-carboxylate?
The molecular weight of (E)-ethyl 3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindoline-1-carboxylate is 425.12 g/mol.
Where can I buy (E)-ethyl 3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindoline-1-carboxylate?
You can request a quote for (E)-ethyl 3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindoline-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindoline-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindoline-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.