(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-((2-methylbenzyl)oxy)benzylidene)-5-((4-methylpiperidin-1-yl)methyl)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-((2-methylbenzyl)oxy)benzylidene)-5-((4-methylpiperidin-1-yl)methyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 796881-40-8) is a chemical compound with molecular formula C27H31N9O3 and molecular weight 529.25 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-methylphenyl)methoxy]phenyl]methylideneamino]-5-[(4-methylpiperidin-1-yl)methyl]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-((2-methylbenzyl)oxy)benzylidene)-5-((4-methylpiperidin-1-yl)methyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{4-[(2-methylbenzyl)oxy]phenyl}methylidene]-5-[(4-methylpiperidin-1-yl)methyl]-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-5-[(4-methylpiperidin-1-yl)methyl]triazole-4-carboxamide
| Molecular Formula | C27H31N9O3 |
|---|---|
| Molecular Weight | 529.25 g/mol |
| LogP | 3.11572 |
| Topological Polar Surface Area | 149.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 529.255 |
| Heavy Atoms | 39 |
| Complexity | 1436.9712 |
Chemical Identifiers
| CAS Number | 796881-40-8 |
|---|---|
| SMILES | CC1CCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)N/N=C/C4=CC=C(C=C4)OCC5=CC=CC=C5C |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-((2-methylbenzyl)oxy)benzylidene)-5-((4-methylpiperidin-1-yl)methyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 796881-40-8), with molecular formula C27H31N9O3 and molecular weight 529.25 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-5-[(4-methylpiperidin-1-yl)methyl]triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-((2-methylbenzyl)oxy)benzylidene)-5-((4-methylpiperidin-1-yl)methyl)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-((2-methylbenzyl)oxy)benzylidene)-5-((4-methylpiperidin-1-yl)methyl)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 3.11572 indicates that (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-((2-methylbenzyl)oxy)benzylidene)-5-((4-methylpiperidin-1-yl)methyl)-1H-1,2,3-triazole-4-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.58 Ų indicates high polarity, suggesting (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-((2-methylbenzyl)oxy)benzylidene)-5-((4-methylpiperidin-1-yl)methyl)-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-methylbenzyl)oxy)benzylidene)-5-((4-methylpiperidin-1-yl)methyl)-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'-(4-((2-methylbenzyl)oxy)benzylidene)-5-((4-methylpiperidin-1-yl)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-((2-methylbenzyl)oxy)benzylidene)-5-((4-methylpiperidin-1-yl)methyl)-1H-1,2,3-triazole-4-carbohydrazide is 796881-40-8.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-((2-methylbenzyl)oxy)benzylidene)-5-((4-methylpiperidin-1-yl)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-((2-methylbenzyl)oxy)benzylidene)-5-((4-methylpiperidin-1-yl)methyl)-1H-1,2,3-triazole-4-carbohydrazide is C27H31N9O3.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-((2-methylbenzyl)oxy)benzylidene)-5-((4-methylpiperidin-1-yl)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-((2-methylbenzyl)oxy)benzylidene)-5-((4-methylpiperidin-1-yl)methyl)-1H-1,2,3-triazole-4-carbohydrazide is 529.25 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-((2-methylbenzyl)oxy)benzylidene)-5-((4-methylpiperidin-1-yl)methyl)-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-methylbenzyl)oxy)benzylidene)-5-((4-methylpiperidin-1-yl)methyl)-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-methylbenzyl)oxy)benzylidene)-5-((4-methylpiperidin-1-yl)methyl)-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-methylbenzyl)oxy)benzylidene)-5-((4-methylpiperidin-1-yl)methyl)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.