(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3-((2-chlorobenzyl)oxy)benzylidene)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3-((2-chlorobenzyl)oxy)benzylidene)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 799770-98-2) is a chemical compound with molecular formula C26H21ClN8O4 and molecular weight 544.14 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)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3-((2-chlorobenzyl)oxy)benzylidene)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-[(2-chlorobenzyl)oxy]phenyl}methylidene]-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide
| Molecular Formula | C26H21ClN8O4 |
|---|---|
| Molecular Weight | 544.14 g/mol |
| LogP | 3.8078 |
| Topological Polar Surface Area | 155.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 544.13745 |
| Heavy Atoms | 39 |
| Complexity | 1602.5802 |
Chemical Identifiers
| CAS Number | 799770-98-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC2=C(N=NN2C3=NON=C3N)C(=O)N/N=C/C4=CC(=CC=C4)OCC5=CC=CC=C5Cl |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3-((2-chlorobenzyl)oxy)benzylidene)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 799770-98-2), with molecular formula C26H21ClN8O4 and molecular weight 544.14 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3-((2-chlorobenzyl)oxy)benzylidene)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3-((2-chlorobenzyl)oxy)benzylidene)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 3.8078 indicates that (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3-((2-chlorobenzyl)oxy)benzylidene)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.57 Ų indicates high polarity, suggesting (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3-((2-chlorobenzyl)oxy)benzylidene)-5-(phenoxymethyl)-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'-(3-((2-chlorobenzyl)oxy)benzylidene)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3-((2-chlorobenzyl)oxy)benzylidene)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3-((2-chlorobenzyl)oxy)benzylidene)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide is 799770-98-2.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3-((2-chlorobenzyl)oxy)benzylidene)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3-((2-chlorobenzyl)oxy)benzylidene)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide is C26H21ClN8O4.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3-((2-chlorobenzyl)oxy)benzylidene)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3-((2-chlorobenzyl)oxy)benzylidene)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide is 544.14 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3-((2-chlorobenzyl)oxy)benzylidene)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide?
You can request a quote for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3-((2-chlorobenzyl)oxy)benzylidene)-5-(phenoxymethyl)-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'-(3-((2-chlorobenzyl)oxy)benzylidene)-5-(phenoxymethyl)-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'-(3-((2-chlorobenzyl)oxy)benzylidene)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.