(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)-N'-(1-(3-hydroxyphenyl)ethylidene)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)-N'-(1-(3-hydroxyphenyl)ethylidene)-1H-1,2,3-triazole-4-carbohydrazide (CAS 850189-03-6) is a chemical compound with molecular formula C21H20N8O4 and molecular weight 448.16 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-(3-ethoxyphenyl)-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)-N'-(1-(3-hydroxyphenyl)ethylidene)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]triazole-4-carboxamide, 3-[(1E)-1-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)ethyl]phenolate
| Molecular Formula | C21H20N8O4 |
|---|---|
| Molecular Weight | 448.16 g/mol |
| LogP | 2.1578 |
| Topological Polar Surface Area | 166.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 448.16074 |
| Heavy Atoms | 33 |
| Complexity | 1327.3132 |
Chemical Identifiers
| CAS Number | 850189-03-6 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)C2=C(N=NN2C3=NON=C3N)C(=O)N/N=C(\C)/C4=CC(=CC=C4)O |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)-N'-(1-(3-hydroxyphenyl)ethylidene)-1H-1,2,3-triazole-4-carbohydrazide (CAS 850189-03-6), with molecular formula C21H20N8O4 and molecular weight 448.16 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)-N'-(1-(3-hydroxyphenyl)ethylidene)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)-N'-(1-(3-hydroxyphenyl)ethylidene)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 2.1578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)-N'-(1-(3-hydroxyphenyl)ethylidene)-1H-1,2,3-triazole-4-carbohydrazide. The TPSA of 166.57 Ų indicates high polarity, suggesting (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)-N'-(1-(3-hydroxyphenyl)ethylidene)-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-(3-ethoxyphenyl)-N'-(1-(3-hydroxyphenyl)ethylidene)-1H-1,2,3-triazole-4-carbohydrazide 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)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)-N'-(1-(3-hydroxyphenyl)ethylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)-N'-(1-(3-hydroxyphenyl)ethylidene)-1H-1,2,3-triazole-4-carbohydrazide is 850189-03-6.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)-N'-(1-(3-hydroxyphenyl)ethylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)-N'-(1-(3-hydroxyphenyl)ethylidene)-1H-1,2,3-triazole-4-carbohydrazide is C21H20N8O4.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)-N'-(1-(3-hydroxyphenyl)ethylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)-N'-(1-(3-hydroxyphenyl)ethylidene)-1H-1,2,3-triazole-4-carbohydrazide is 448.16 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)-N'-(1-(3-hydroxyphenyl)ethylidene)-1H-1,2,3-triazole-4-carbohydrazide?
You can request a quote for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)-N'-(1-(3-hydroxyphenyl)ethylidene)-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-(3-ethoxyphenyl)-N'-(1-(3-hydroxyphenyl)ethylidene)-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-(3-ethoxyphenyl)-N'-(1-(3-hydroxyphenyl)ethylidene)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.