(E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetamide
TL;DR: (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetamide (CAS 585552-49-4) is a chemical compound with molecular formula C21H18FN9O5 and molecular weight 495.14 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)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-5-[(4-fluorophenoxy)methyl]triazole-4-carboxamide
Also Known As: (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetamide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-5-[(4-fluorophenoxy)methyl]triazole-4-carboxamide, 2-(4-{(E)-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}phenoxy)acetamide
| Molecular Formula | C21H18FN9O5 |
|---|---|
| Molecular Weight | 495.14 g/mol |
| LogP | 0.5786 |
| Topological Polar Surface Area | 198.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 495.14148 |
| Heavy Atoms | 36 |
| Complexity | 1383.7911 |
Chemical Identifiers
| CAS Number | 585552-49-4 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)COC4=CC=C(C=C4)F)OCC(=O)N |
Product Overview
(E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetamide (CAS 585552-49-4), with molecular formula C21H18FN9O5 and molecular weight 495.14 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-5-[(4-fluorophenoxy)methyl]triazole-4-carboxamide.
Chemical Property Profile of (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetamide
Property Insights of (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetamide
The XLogP value of 0.5786 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetamide. The TPSA of 198.66 Ų indicates high polarity, suggesting (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)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)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetamide?
The CAS number of (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetamide is 585552-49-4.
What is the molecular formula of (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetamide?
The molecular formula of (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetamide is C21H18FN9O5.
What is the molecular weight of (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetamide?
The molecular weight of (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetamide is 495.14 g/mol.
Where can I buy (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetamide?
You can request a quote for (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.