Nicotinic acid, 2-(N,N-dimethylamino)ethyl ester, dimaleate
TL;DR: Nicotinic acid, 2-(N,N-dimethylamino)ethyl ester, dimaleate (CAS 57272-33-0) is a chemical compound with molecular formula C18H22N2O10 and molecular weight 426.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[2-(pyridin-1-ium-3-carbonyloxy)ethyl]azanium;bis((Z)-4-hydroxy-4-oxobut-2-enoate)
Also Known As: 2-(Dimethylamino)ethyl nicotinate dimaleate, Pyrimidine,5-methyl-4-phenyl-,3-oxide, 2-(Dimethylamino)ethyl 3-pyridinecarboxylate dimaleate, NICOTINIC ACID, 2-(N,N-DIMETHYLAMINO)ETHYL ESTER, DIMALEATE, 3-Pyridinecarboxylic acid, 2-(dimethylamino)ethyl ester, dimaleate
| Molecular Formula | C18H22N2O10 |
|---|---|
| Molecular Weight | 426.13 g/mol |
| LogP | -4.4438 |
| Topological Polar Surface Area | 199.74 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 426.12744 |
| Heavy Atoms | 30 |
| Complexity | 691.4904 |
Chemical Identifiers
| CAS Number | 57272-33-0 |
|---|---|
| SMILES | C[NH+](CCOC(=O)C1=C[NH+]=CC=C1)C.C(=C\C(=O)[O-])\C(=O)O.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
Nicotinic acid, 2-(N,N-dimethylamino)ethyl ester, dimaleate (CAS 57272-33-0), with molecular formula C18H22N2O10 and molecular weight 426.13 g/mol. IUPAC: dimethyl-[2-(pyridin-1-ium-3-carbonyloxy)ethyl]azanium;bis((Z)-4-hydroxy-4-oxobut-2-enoate).
Chemical Property Profile of Nicotinic acid, 2-(N,N-dimethylamino)ethyl ester, dimaleate
Property Insights of Nicotinic acid, 2-(N,N-dimethylamino)ethyl ester, dimaleate
The XLogP value of -4.4438 indicates that Nicotinic acid, 2-(N,N-dimethylamino)ethyl ester, dimaleate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 199.74 Ų indicates high polarity, suggesting Nicotinic acid, 2-(N,N-dimethylamino)ethyl ester, dimaleate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nicotinic acid, 2-(N,N-dimethylamino)ethyl ester, dimaleate has 3 hydrogen bond donor(s) and 8 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 Nicotinic acid, 2-(N,N-dimethylamino)ethyl ester, dimaleate?
The CAS number of Nicotinic acid, 2-(N,N-dimethylamino)ethyl ester, dimaleate is 57272-33-0.
What is the molecular formula of Nicotinic acid, 2-(N,N-dimethylamino)ethyl ester, dimaleate?
The molecular formula of Nicotinic acid, 2-(N,N-dimethylamino)ethyl ester, dimaleate is C18H22N2O10.
What is the molecular weight of Nicotinic acid, 2-(N,N-dimethylamino)ethyl ester, dimaleate?
The molecular weight of Nicotinic acid, 2-(N,N-dimethylamino)ethyl ester, dimaleate is 426.13 g/mol.
Where can I buy Nicotinic acid, 2-(N,N-dimethylamino)ethyl ester, dimaleate?
You can request a quote for Nicotinic acid, 2-(N,N-dimethylamino)ethyl ester, dimaleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicotinic acid, 2-(N,N-dimethylamino)ethyl ester, dimaleate?
Yes, KEHONG BIO provides custom synthesis services for Nicotinic acid, 2-(N,N-dimethylamino)ethyl ester, dimaleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.