1-(2-Ethoxy-2-oxoethyl)-1-methylpyrrolidin-1-ium iodide
TL;DR: 1-(2-Ethoxy-2-oxoethyl)-1-methylpyrrolidin-1-ium iodide (CAS 22041-29-8) is a chemical compound with molecular formula C9H18INO2 and molecular weight 299.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1-methylpyrrolidin-1-ium-1-yl)acetate iodide
Also Known As: 1-Carboxymethyl-1-methylpyrrolidinium iodide ethyl ester, 1-(2-ethoxy-2-oxoethyl)-1-methylpyrrolidinium iodide, Pyrrolidinium, 1-carboxymethyl-1-methyl-, iodide, ethyl ester, 1-(2-ETHOXY-2-OXOETHYL)-1-METHYLPYRROLIDIN-1-IUM IODIDE, ethyl 2-(1-methylpyrrolidin-1-ium-1-yl)acetate iodide
| Molecular Formula | C9H18INO2 |
|---|---|
| Molecular Weight | 299.04 g/mol |
| LogP | -2.21 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.03824 |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 22041-29-8 |
|---|---|
| SMILES | CCOC(=O)C[N+]1(CCCC1)C.[I-] |
| InChIKey | KUNOADATOCMLKX-UHFFFAOYSA-M |
Product Overview
1-(2-Ethoxy-2-oxoethyl)-1-methylpyrrolidin-1-ium iodide (CAS 22041-29-8), with molecular formula C9H18INO2 and molecular weight 299.04 g/mol. IUPAC: ethyl 2-(1-methylpyrrolidin-1-ium-1-yl)acetate iodide.
Chemical Property Profile of 1-(2-Ethoxy-2-oxoethyl)-1-methylpyrrolidin-1-ium iodide
Property Insights of 1-(2-Ethoxy-2-oxoethyl)-1-methylpyrrolidin-1-ium iodide
The XLogP value of -2.21 indicates that 1-(2-Ethoxy-2-oxoethyl)-1-methylpyrrolidin-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, 1-(2-Ethoxy-2-oxoethyl)-1-methylpyrrolidin-1-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Ethoxy-2-oxoethyl)-1-methylpyrrolidin-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 1-(2-Ethoxy-2-oxoethyl)-1-methylpyrrolidin-1-ium iodide?
The CAS number of 1-(2-Ethoxy-2-oxoethyl)-1-methylpyrrolidin-1-ium iodide is 22041-29-8.
What is the molecular formula of 1-(2-Ethoxy-2-oxoethyl)-1-methylpyrrolidin-1-ium iodide?
The molecular formula of 1-(2-Ethoxy-2-oxoethyl)-1-methylpyrrolidin-1-ium iodide is C9H18INO2.
What is the molecular weight of 1-(2-Ethoxy-2-oxoethyl)-1-methylpyrrolidin-1-ium iodide?
The molecular weight of 1-(2-Ethoxy-2-oxoethyl)-1-methylpyrrolidin-1-ium iodide is 299.04 g/mol.
Where can I buy 1-(2-Ethoxy-2-oxoethyl)-1-methylpyrrolidin-1-ium iodide?
You can request a quote for 1-(2-Ethoxy-2-oxoethyl)-1-methylpyrrolidin-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 1-(2-Ethoxy-2-oxoethyl)-1-methylpyrrolidin-1-ium iodide?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Ethoxy-2-oxoethyl)-1-methylpyrrolidin-1-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.