2-(4-Methyl-1-piperazinyl)ethyl nicotinate dimaleate N-oxide
TL;DR: 2-(4-Methyl-1-piperazinyl)ethyl nicotinate dimaleate N-oxide (CAS 51505-36-3) is a chemical compound with molecular formula C21H27N3O11 and molecular weight 497.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((Z)-but-2-enedioic acid);2-(4-methylpiperazin-1-yl)ethyl 1-oxidopyridin-1-ium-3-carboxylate
Also Known As: 2-(4-Methyl-1-piperazinyl)ethyl nicotinate dimaleate N-oxide, NICOTINIC ACID, 2-(4-METHYL-1-PIPERAZINYL)ETHYL ESTER, DIMALEATE, N-OXIDE, 2-(4-Methyl-1-piperazinyl)ethyl 3-pyridinecarboxylate dimaleate N-oxide, 3-Pyridinecarboxylic acid, 2-(4-methyl-1-piperazinyl)ethyl ester, dimaleate, N-oxide, 2-(4-Methyl-1-piperazinyl)ethyl nicotinate 1-oxide (2Z)-2-butenedioate (1:2)
| Molecular Formula | C21H27N3O11 |
|---|---|
| Molecular Weight | 497.16 g/mol |
| LogP | -0.8522 |
| Topological Polar Surface Area | 208.92 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 497.16455 |
| Heavy Atoms | 35 |
| Complexity | 856.84595 |
Chemical Identifiers
| CAS Number | 51505-36-3 |
|---|---|
| SMILES | CN1CCN(CC1)CCOC(=O)C2=C[N+](=CC=C2)[O-].C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
Product Overview
2-(4-Methyl-1-piperazinyl)ethyl nicotinate dimaleate N-oxide (CAS 51505-36-3), with molecular formula C21H27N3O11 and molecular weight 497.16 g/mol. IUPAC: bis((Z)-but-2-enedioic acid);2-(4-methylpiperazin-1-yl)ethyl 1-oxidopyridin-1-ium-3-carboxylate.
Chemical Property Profile of 2-(4-Methyl-1-piperazinyl)ethyl nicotinate dimaleate N-oxide
Property Insights of 2-(4-Methyl-1-piperazinyl)ethyl nicotinate dimaleate N-oxide
The XLogP value of -0.8522 indicates that 2-(4-Methyl-1-piperazinyl)ethyl nicotinate dimaleate N-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 208.92 Ų indicates high polarity, suggesting 2-(4-Methyl-1-piperazinyl)ethyl nicotinate dimaleate N-oxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(4-Methyl-1-piperazinyl)ethyl nicotinate dimaleate N-oxide has 4 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 2-(4-Methyl-1-piperazinyl)ethyl nicotinate dimaleate N-oxide?
The CAS number of 2-(4-Methyl-1-piperazinyl)ethyl nicotinate dimaleate N-oxide is 51505-36-3.
What is the molecular formula of 2-(4-Methyl-1-piperazinyl)ethyl nicotinate dimaleate N-oxide?
The molecular formula of 2-(4-Methyl-1-piperazinyl)ethyl nicotinate dimaleate N-oxide is C21H27N3O11.
What is the molecular weight of 2-(4-Methyl-1-piperazinyl)ethyl nicotinate dimaleate N-oxide?
The molecular weight of 2-(4-Methyl-1-piperazinyl)ethyl nicotinate dimaleate N-oxide is 497.16 g/mol.
Where can I buy 2-(4-Methyl-1-piperazinyl)ethyl nicotinate dimaleate N-oxide?
You can request a quote for 2-(4-Methyl-1-piperazinyl)ethyl nicotinate dimaleate N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methyl-1-piperazinyl)ethyl nicotinate dimaleate N-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methyl-1-piperazinyl)ethyl nicotinate dimaleate N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.