(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-((2-chloro-6-fluorobenzyl)oxy)benzylidene)-5-isopropyl-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-((2-chloro-6-fluorobenzyl)oxy)benzylidene)-5-isopropyl-1H-1,2,3-triazole-4-carbohydrazide (CAS 575460-92-3) is a chemical compound with molecular formula C22H20ClFN8O3 and molecular weight 498.13 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-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]-5-propan-2-yltriazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-((2-chloro-6-fluorobenzyl)oxy)benzylidene)-5-isopropyl-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}methylidene]-5-(propan-2-yl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]-5-propan-2-yltriazole-4-carboxamide
| Molecular Formula | C22H20ClFN8O3 |
|---|---|
| Molecular Weight | 498.13 g/mol |
| LogP | 3.4913 |
| Topological Polar Surface Area | 146.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 498.1331 |
| Heavy Atoms | 35 |
| Complexity | 1347.2904 |
Chemical Identifiers
| CAS Number | 575460-92-3 |
|---|---|
| SMILES | CC(C)C1=C(N=NN1C2=NON=C2N)C(=O)N/N=C/C3=CC=C(C=C3)OCC4=C(C=CC=C4Cl)F |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-((2-chloro-6-fluorobenzyl)oxy)benzylidene)-5-isopropyl-1H-1,2,3-triazole-4-carbohydrazide (CAS 575460-92-3), with molecular formula C22H20ClFN8O3 and molecular weight 498.13 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]-5-propan-2-yltriazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-((2-chloro-6-fluorobenzyl)oxy)benzylidene)-5-isopropyl-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-((2-chloro-6-fluorobenzyl)oxy)benzylidene)-5-isopropyl-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 3.4913 indicates that (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-((2-chloro-6-fluorobenzyl)oxy)benzylidene)-5-isopropyl-1H-1,2,3-triazole-4-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.34 Ų indicates high polarity, suggesting (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-((2-chloro-6-fluorobenzyl)oxy)benzylidene)-5-isopropyl-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)-N'-(4-((2-chloro-6-fluorobenzyl)oxy)benzylidene)-5-isopropyl-1H-1,2,3-triazole-4-carbohydrazide has 2 hydrogen bond donor(s) and 9 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)-N'-(4-((2-chloro-6-fluorobenzyl)oxy)benzylidene)-5-isopropyl-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-((2-chloro-6-fluorobenzyl)oxy)benzylidene)-5-isopropyl-1H-1,2,3-triazole-4-carbohydrazide is 575460-92-3.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-((2-chloro-6-fluorobenzyl)oxy)benzylidene)-5-isopropyl-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-((2-chloro-6-fluorobenzyl)oxy)benzylidene)-5-isopropyl-1H-1,2,3-triazole-4-carbohydrazide is C22H20ClFN8O3.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-((2-chloro-6-fluorobenzyl)oxy)benzylidene)-5-isopropyl-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-((2-chloro-6-fluorobenzyl)oxy)benzylidene)-5-isopropyl-1H-1,2,3-triazole-4-carbohydrazide is 498.13 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-((2-chloro-6-fluorobenzyl)oxy)benzylidene)-5-isopropyl-1H-1,2,3-triazole-4-carbohydrazide?
You can request a quote for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-((2-chloro-6-fluorobenzyl)oxy)benzylidene)-5-isopropyl-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)-N'-(4-((2-chloro-6-fluorobenzyl)oxy)benzylidene)-5-isopropyl-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)-N'-(4-((2-chloro-6-fluorobenzyl)oxy)benzylidene)-5-isopropyl-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.