(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,3-dimethoxybenzylidene)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,3-dimethoxybenzylidene)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 575466-10-3) is a chemical compound with molecular formula C17H21N9O4 and molecular weight 415.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-[(dimethylamino)methyl]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,3-dimethoxybenzylidene)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,3-dimethoxyphenyl)methylidene]-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-(dimethylaminomethyl)triazole-4-carboxamide
| Molecular Formula | C17H21N9O4 |
|---|---|
| Molecular Weight | 415.17 g/mol |
| LogP | 0.0752 |
| Topological Polar Surface Area | 158.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 415.17166 |
| Heavy Atoms | 30 |
| Complexity | 1057.4337 |
Chemical Identifiers
| CAS Number | 575466-10-3 |
|---|---|
| SMILES | CN(C)CC1=C(N=NN1C2=NON=C2N)C(=O)N/N=C/C3=C(C(=CC=C3)OC)OC |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,3-dimethoxybenzylidene)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 575466-10-3), with molecular formula C17H21N9O4 and molecular weight 415.17 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-[(dimethylamino)methyl]triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,3-dimethoxybenzylidene)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,3-dimethoxybenzylidene)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 0.0752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,3-dimethoxybenzylidene)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide. The TPSA of 158.81 Ų indicates high polarity, suggesting (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,3-dimethoxybenzylidene)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,3-dimethoxybenzylidene)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide 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)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,3-dimethoxybenzylidene)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,3-dimethoxybenzylidene)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide is 575466-10-3.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,3-dimethoxybenzylidene)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,3-dimethoxybenzylidene)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide is C17H21N9O4.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,3-dimethoxybenzylidene)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,3-dimethoxybenzylidene)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide is 415.17 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,3-dimethoxybenzylidene)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
You can request a quote for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,3-dimethoxybenzylidene)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,3-dimethoxybenzylidene)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,3-dimethoxybenzylidene)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.