(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-chlorophenyl)-N'-(2,4-dimethoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-chlorophenyl)-N'-(2,4-dimethoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide (CAS 585562-79-4) is a chemical compound with molecular formula C20H17ClN8O4 and molecular weight 468.11 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)-5-(2-chlorophenyl)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-chlorophenyl)-N'-(2,4-dimethoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-chlorophenyl)-N'-[(E)-(2,4-dimethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-chlorophenyl)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]triazole-4-carboxamide
| Molecular Formula | C20H17ClN8O4 |
|---|---|
| Molecular Weight | 468.11 g/mol |
| LogP | 2.334 |
| Topological Polar Surface Area | 155.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 468.10614 |
| Heavy Atoms | 33 |
| Complexity | 1333.3584 |
Chemical Identifiers
| CAS Number | 585562-79-4 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=CC=C4Cl)OC |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-chlorophenyl)-N'-(2,4-dimethoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide (CAS 585562-79-4), with molecular formula C20H17ClN8O4 and molecular weight 468.11 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-chlorophenyl)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-chlorophenyl)-N'-(2,4-dimethoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-chlorophenyl)-N'-(2,4-dimethoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 2.334 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-chlorophenyl)-N'-(2,4-dimethoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide. The TPSA of 155.57 Ų indicates high polarity, suggesting (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-chlorophenyl)-N'-(2,4-dimethoxybenzylidene)-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)-5-(2-chlorophenyl)-N'-(2,4-dimethoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide has 2 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)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-chlorophenyl)-N'-(2,4-dimethoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-chlorophenyl)-N'-(2,4-dimethoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide is 585562-79-4.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-chlorophenyl)-N'-(2,4-dimethoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-chlorophenyl)-N'-(2,4-dimethoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide is C20H17ClN8O4.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-chlorophenyl)-N'-(2,4-dimethoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-chlorophenyl)-N'-(2,4-dimethoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide is 468.11 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-chlorophenyl)-N'-(2,4-dimethoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
You can request a quote for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-chlorophenyl)-N'-(2,4-dimethoxybenzylidene)-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)-5-(2-chlorophenyl)-N'-(2,4-dimethoxybenzylidene)-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)-5-(2-chlorophenyl)-N'-(2,4-dimethoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.