![1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N-[(E)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]triazole-4-carboxamide structure](/static/products/843/843629-68-5.png)
1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N-[(E)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]triazole-4-carboxamide
TL;DR: 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N-[(E)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]triazole-4-carboxamide (CAS 843629-68-5) is a chemical compound with molecular formula C22H22FN9O3 and molecular weight 479.18 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-[(dimethylamino)methyl]-N-[(E)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]triazole-4-carboxamide
Also Known As: 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N-[(E)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]triazole-4-carboxamide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-((1E)-{2-[(4-fluorobenzyl)oxy]phenyl}methylene)-1H-1,2,3-triazole-4-carbohydrazide, (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(2-((4-fluorobenzyl)oxy)benzylidene)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-[(E)-{2-[(4-fluorobenzyl)oxy]phenyl}methylidene]-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-5-[(DIMETHYLAMINO)METHYL]-N'-[(E)-{2-[(4-FLUOROPHENYL)METHOXY]PHENYL}METHYLIDENE]-1H-1,2,3-TRIAZOLE-4-CARBOHYDRAZIDE
| Molecular Formula | C22H22FN9O3 |
|---|---|
| Molecular Weight | 479.18 g/mol |
| LogP | 1.7761 |
| Topological Polar Surface Area | 149.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 479.18295 |
| Heavy Atoms | 35 |
| Complexity | 1332.2074 |
Chemical Identifiers
| CAS Number | 843629-68-5 |
|---|---|
| SMILES | CN(C)CC1=C(N=NN1C2=NON=C2N)C(=O)N/N=C/C3=CC=CC=C3OCC4=CC=C(C=C4)F |
Product Overview
1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N-[(E)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]triazole-4-carboxamide (CAS 843629-68-5), with molecular formula C22H22FN9O3 and molecular weight 479.18 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N-[(E)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]triazole-4-carboxamide.
Chemical Property Profile of 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N-[(E)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]triazole-4-carboxamide
Property Insights of 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N-[(E)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]triazole-4-carboxamide
The XLogP value of 1.7761 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N-[(E)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]triazole-4-carboxamide. The TPSA of 149.58 Ų indicates high polarity, suggesting 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N-[(E)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]triazole-4-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N-[(E)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]triazole-4-carboxamide 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 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N-[(E)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]triazole-4-carboxamide?
The CAS number of 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N-[(E)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]triazole-4-carboxamide is 843629-68-5.
What is the molecular formula of 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N-[(E)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]triazole-4-carboxamide?
The molecular formula of 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N-[(E)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]triazole-4-carboxamide is C22H22FN9O3.
What is the molecular weight of 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N-[(E)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]triazole-4-carboxamide?
The molecular weight of 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N-[(E)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]triazole-4-carboxamide is 479.18 g/mol.
Where can I buy 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N-[(E)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]triazole-4-carboxamide?
You can request a quote for 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N-[(E)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]triazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N-[(E)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]triazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N-[(E)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]triazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.