5-(Ethoxycarbonyl)-1,1-dimethyl-1,2,3,6-tetrahydropyridin-1-ium iodide
TL;DR: 5-(Ethoxycarbonyl)-1,1-dimethyl-1,2,3,6-tetrahydropyridin-1-ium iodide (CAS 5822-68-4) is a chemical compound with molecular formula C10H18INO2 and molecular weight 311.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate iodide
Also Known As: 1-Methyl-3-carboethoxy-1,2,5,6-tetrahydropyridinium iodide, 5-(ethoxycarbonyl)-1,1-dimethyl-1,2,3,6-tetrahydropyridinium iodide, ethyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate iodide, 5-(Ethoxycarbonyl)-1,1-dimethyl-1,2,3,6-tetrahydropyridin-1-ium iodide, Pyridinium, 1,2,5,6-tetrahydro-3-carboxy-1,1-dimethyl-, iodide, ethyl ester
| Molecular Formula | C10H18INO2 |
|---|---|
| Molecular Weight | 311.04 g/mol |
| LogP | -2.04 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.03824 |
| Heavy Atoms | 14 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 5822-68-4 |
|---|---|
| SMILES | CCOC(=O)C1=CCC[N+](C1)(C)C.[I-] |
| InChIKey | ZDBUOENJBRYNKU-UHFFFAOYSA-M |
Product Overview
5-(Ethoxycarbonyl)-1,1-dimethyl-1,2,3,6-tetrahydropyridin-1-ium iodide (CAS 5822-68-4), with molecular formula C10H18INO2 and molecular weight 311.04 g/mol. IUPAC: ethyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate iodide.
Chemical Property Profile of 5-(Ethoxycarbonyl)-1,1-dimethyl-1,2,3,6-tetrahydropyridin-1-ium iodide
Property Insights of 5-(Ethoxycarbonyl)-1,1-dimethyl-1,2,3,6-tetrahydropyridin-1-ium iodide
The XLogP value of -2.04 indicates that 5-(Ethoxycarbonyl)-1,1-dimethyl-1,2,3,6-tetrahydropyridin-1-ium iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.3 Ų, 5-(Ethoxycarbonyl)-1,1-dimethyl-1,2,3,6-tetrahydropyridin-1-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Ethoxycarbonyl)-1,1-dimethyl-1,2,3,6-tetrahydropyridin-1-ium iodide has 0 hydrogen bond donor(s) and 3 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 5-(Ethoxycarbonyl)-1,1-dimethyl-1,2,3,6-tetrahydropyridin-1-ium iodide?
The CAS number of 5-(Ethoxycarbonyl)-1,1-dimethyl-1,2,3,6-tetrahydropyridin-1-ium iodide is 5822-68-4.
What is the molecular formula of 5-(Ethoxycarbonyl)-1,1-dimethyl-1,2,3,6-tetrahydropyridin-1-ium iodide?
The molecular formula of 5-(Ethoxycarbonyl)-1,1-dimethyl-1,2,3,6-tetrahydropyridin-1-ium iodide is C10H18INO2.
What is the molecular weight of 5-(Ethoxycarbonyl)-1,1-dimethyl-1,2,3,6-tetrahydropyridin-1-ium iodide?
The molecular weight of 5-(Ethoxycarbonyl)-1,1-dimethyl-1,2,3,6-tetrahydropyridin-1-ium iodide is 311.04 g/mol.
Where can I buy 5-(Ethoxycarbonyl)-1,1-dimethyl-1,2,3,6-tetrahydropyridin-1-ium iodide?
You can request a quote for 5-(Ethoxycarbonyl)-1,1-dimethyl-1,2,3,6-tetrahydropyridin-1-ium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Ethoxycarbonyl)-1,1-dimethyl-1,2,3,6-tetrahydropyridin-1-ium iodide?
Yes, KEHONG BIO provides custom synthesis services for 5-(Ethoxycarbonyl)-1,1-dimethyl-1,2,3,6-tetrahydropyridin-1-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.