(E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(3-fluorobenzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide
TL;DR: (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(3-fluorobenzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide (CAS 848930-77-8) is a chemical compound with molecular formula C20H17FN10O3 and molecular weight 464.15 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-carbamoylanilino)methyl]-N-[(E)-(3-fluorophenyl)methylideneamino]triazole-4-carboxamide
Also Known As: (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(3-fluorobenzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-carbamoylanilino)methyl]-N-[(E)-(3-fluorophenyl)methylideneamino]triazole-4-carboxamide, 2-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-4-{[(2E)-2-(3-fluorobenzylidene)hydrazinyl]carbonyl}-1H-1,2,3-triazol-5-yl]methyl}amino)benzamide
| Molecular Formula | C20H17FN10O3 |
|---|---|
| Molecular Weight | 464.15 g/mol |
| LogP | 0.8465 |
| Topological Polar Surface Area | 192.23 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 464.1469 |
| Heavy Atoms | 34 |
| Complexity | 1380.4437 |
Chemical Identifiers
| CAS Number | 848930-77-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)N)NCC2=C(N=NN2C3=NON=C3N)C(=O)N/N=C/C4=CC(=CC=C4)F |
Product Overview
(E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(3-fluorobenzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide (CAS 848930-77-8), with molecular formula C20H17FN10O3 and molecular weight 464.15 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-carbamoylanilino)methyl]-N-[(E)-(3-fluorophenyl)methylideneamino]triazole-4-carboxamide.
Chemical Property Profile of (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(3-fluorobenzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide
Property Insights of (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(3-fluorobenzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide
The XLogP value of 0.8465 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(3-fluorobenzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide. The TPSA of 192.23 Ų indicates high polarity, suggesting (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(3-fluorobenzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(3-fluorobenzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide has 4 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)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(3-fluorobenzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide?
The CAS number of (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(3-fluorobenzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide is 848930-77-8.
What is the molecular formula of (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(3-fluorobenzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide?
The molecular formula of (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(3-fluorobenzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide is C20H17FN10O3.
What is the molecular weight of (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(3-fluorobenzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide?
The molecular weight of (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(3-fluorobenzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide is 464.15 g/mol.
Where can I buy (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(3-fluorobenzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide?
You can request a quote for (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(3-fluorobenzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(3-fluorobenzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(3-fluorobenzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.