![(E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide structure](/static/products/849/849002-77-3.png)
(E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide
TL;DR: (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide (CAS 849002-77-3) is a chemical compound with molecular formula C21H17N9O5 and molecular weight 475.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(4-acetamidophenyl)methylideneamino]-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)triazole-4-carboxamide
Also Known As: (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide, N-[(E)-(4-acetamidophenyl)methylideneamino]-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)triazole-4-carboxamide, N-{4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]phenyl}acetamide
| Molecular Formula | C21H17N9O5 |
|---|---|
| Molecular Weight | 475.14 g/mol |
| LogP | 1.3505 |
| Topological Polar Surface Area | 184.67 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.13525 |
| Heavy Atoms | 35 |
| Complexity | 1441.899 |
Chemical Identifiers
| CAS Number | 849002-77-3 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC5=C(C=C4)OCO5 |
Product Overview
(E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide (CAS 849002-77-3), with molecular formula C21H17N9O5 and molecular weight 475.14 g/mol. IUPAC: N-[(E)-(4-acetamidophenyl)methylideneamino]-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)triazole-4-carboxamide.
Chemical Property Profile of (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide
Property Insights of (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide
The XLogP value of 1.3505 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide. The TPSA of 184.67 Ų indicates high polarity, suggesting (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide has 3 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)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide?
The CAS number of (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide is 849002-77-3.
What is the molecular formula of (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide?
The molecular formula of (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide is C21H17N9O5.
What is the molecular weight of (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide?
The molecular weight of (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide is 475.14 g/mol.
Where can I buy (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide?
You can request a quote for (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.