(E)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoic acid
TL;DR: (E)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoic acid (CAS 577789-35-6) is a chemical compound with molecular formula C16H17N9O4 and molecular weight 399.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]triazole-4-carbonyl]hydrazinylidene]methyl]benzoic acid
Also Known As: (E)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoic acid, 2-[(E)-({[1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-5-[(DIMETHYLAMINO)METHYL]-1H-1,2,3-TRIAZOL-4-YL]FORMAMIDO}IMINO)METHYL]BENZOIC ACID, 2-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(dimethylaminomethyl)triazole-4-carbonyl]hydrazinylidene]methyl]benzoic acid, 2-{(E)-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}benzoic acid
| Molecular Formula | C16H17N9O4 |
|---|---|
| Molecular Weight | 399.14 g/mol |
| LogP | -0.2438 |
| Topological Polar Surface Area | 177.65 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 399.14035 |
| Heavy Atoms | 29 |
| Complexity | 1070.0374 |
Chemical Identifiers
| CAS Number | 577789-35-6 |
|---|---|
| SMILES | CN(C)CC1=C(N=NN1C2=NON=C2N)C(=O)N/N=C/C3=CC=CC=C3C(=O)O |
Product Overview
(E)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoic acid (CAS 577789-35-6), with molecular formula C16H17N9O4 and molecular weight 399.14 g/mol. IUPAC: 2-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]triazole-4-carbonyl]hydrazinylidene]methyl]benzoic acid.
Chemical Property Profile of (E)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoic acid
Property Insights of (E)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoic acid
The XLogP value of -0.2438 indicates that (E)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 177.65 Ų indicates high polarity, suggesting (E)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoic acid has 3 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-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoic acid?
The CAS number of (E)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoic acid is 577789-35-6.
What is the molecular formula of (E)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoic acid?
The molecular formula of (E)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoic acid is C16H17N9O4.
What is the molecular weight of (E)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoic acid?
The molecular weight of (E)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoic acid is 399.14 g/mol.
Where can I buy (E)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoic acid?
You can request a quote for (E)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.