(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(3-bromophenyl)ethylidene)-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'-(1-(3-bromophenyl)ethylidene)-5-((4-methylpiperidin-1-yl)methyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 489405-08-5) is a chemical compound with molecular formula C20H24BrN9O2 and molecular weight 501.12 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)-1-(3-bromophenyl)ethylideneamino]-5-[(4-methylpiperidin-1-yl)methyl]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(3-bromophenyl)ethylidene)-5-((4-methylpiperidin-1-yl)methyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(3-bromophenyl)ethylidene]-5-[(4-methylpiperidin-1-yl)methyl]-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-(3-bromophenyl)ethylideneamino]-5-[(4-methyl-1-piperidinyl)methyl]-4-triazolecarboxamide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-(3-bromophenyl)ethylideneamino]-5-[(4-methylpiperidin-1-yl)methyl]triazole-4-carboxamide, 1-(4-aminofurazan-3-yl)-N-[1-(3-bromophenyl)ethylideneamino]-5-[(4-methylpiperidino)methyl]triazole-4-carboxamide
| Molecular Formula | C20H24BrN9O2 |
|---|---|
| Molecular Weight | 501.12 g/mol |
| LogP | 2.3809 |
| Topological Polar Surface Area | 140.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 501.12363 |
| Heavy Atoms | 32 |
| Complexity | 1131.8014 |
Chemical Identifiers
| CAS Number | 489405-08-5 |
|---|---|
| SMILES | CC1CCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)N/N=C(\C)/C4=CC(=CC=C4)Br |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(3-bromophenyl)ethylidene)-5-((4-methylpiperidin-1-yl)methyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 489405-08-5), with molecular formula C20H24BrN9O2 and molecular weight 501.12 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-5-[(4-methylpiperidin-1-yl)methyl]triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(3-bromophenyl)ethylidene)-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'-(1-(3-bromophenyl)ethylidene)-5-((4-methylpiperidin-1-yl)methyl)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 2.3809 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(3-bromophenyl)ethylidene)-5-((4-methylpiperidin-1-yl)methyl)-1H-1,2,3-triazole-4-carbohydrazide. The TPSA of 140.35 Ų indicates high polarity, suggesting (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(3-bromophenyl)ethylidene)-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'-(1-(3-bromophenyl)ethylidene)-5-((4-methylpiperidin-1-yl)methyl)-1H-1,2,3-triazole-4-carbohydrazide has 2 hydrogen bond donor(s) and 9 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'-(1-(3-bromophenyl)ethylidene)-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'-(1-(3-bromophenyl)ethylidene)-5-((4-methylpiperidin-1-yl)methyl)-1H-1,2,3-triazole-4-carbohydrazide is 489405-08-5.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(3-bromophenyl)ethylidene)-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'-(1-(3-bromophenyl)ethylidene)-5-((4-methylpiperidin-1-yl)methyl)-1H-1,2,3-triazole-4-carbohydrazide is C20H24BrN9O2.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(3-bromophenyl)ethylidene)-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'-(1-(3-bromophenyl)ethylidene)-5-((4-methylpiperidin-1-yl)methyl)-1H-1,2,3-triazole-4-carbohydrazide is 501.12 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(3-bromophenyl)ethylidene)-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'-(1-(3-bromophenyl)ethylidene)-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'-(1-(3-bromophenyl)ethylidene)-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'-(1-(3-bromophenyl)ethylidene)-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.