1-(3-Methoxy-3-oxopropyl)-1-methylpyrrolidin-1-ium iodide
TL;DR: 1-(3-Methoxy-3-oxopropyl)-1-methylpyrrolidin-1-ium iodide (CAS 22041-31-2) 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.
methyl 3-(1-methylpyrrolidin-1-ium-1-yl)propanoate iodide
Also Known As: 1-(3-methoxy-3-oxopropyl)-1-methylpyrrolidinium iodide, 1-(2-Carboxyethyl)-1-methylpyrrolidinium iodide methyl ester, methyl 3-(1-methylpyrrolidin-1-ium-1-yl)propanoate iodide, 1-(3-METHOXY-3-OXOPROPYL)-1-METHYLPYRROLIDIN-1-IUM IODIDE, Pyrrolidinium, 1-(2-carboxyethyl)-1-methyl-, iodide, methyl ester
| 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 | 22041-31-2 |
|---|---|
| SMILES | C[N+]1(CCCC1)CCC(=O)OC.[I-] |
| InChIKey | CRIVZCWQXMNFTO-UHFFFAOYSA-M |
Product Overview
1-(3-Methoxy-3-oxopropyl)-1-methylpyrrolidin-1-ium iodide (CAS 22041-31-2), with molecular formula C9H18INO2 and molecular weight 299.04 g/mol. IUPAC: methyl 3-(1-methylpyrrolidin-1-ium-1-yl)propanoate iodide.
Chemical Property Profile of 1-(3-Methoxy-3-oxopropyl)-1-methylpyrrolidin-1-ium iodide
Property Insights of 1-(3-Methoxy-3-oxopropyl)-1-methylpyrrolidin-1-ium iodide
The XLogP value of -2.21 indicates that 1-(3-Methoxy-3-oxopropyl)-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-(3-Methoxy-3-oxopropyl)-1-methylpyrrolidin-1-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Methoxy-3-oxopropyl)-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-(3-Methoxy-3-oxopropyl)-1-methylpyrrolidin-1-ium iodide?
The CAS number of 1-(3-Methoxy-3-oxopropyl)-1-methylpyrrolidin-1-ium iodide is 22041-31-2.
What is the molecular formula of 1-(3-Methoxy-3-oxopropyl)-1-methylpyrrolidin-1-ium iodide?
The molecular formula of 1-(3-Methoxy-3-oxopropyl)-1-methylpyrrolidin-1-ium iodide is C9H18INO2.
What is the molecular weight of 1-(3-Methoxy-3-oxopropyl)-1-methylpyrrolidin-1-ium iodide?
The molecular weight of 1-(3-Methoxy-3-oxopropyl)-1-methylpyrrolidin-1-ium iodide is 299.04 g/mol.
Where can I buy 1-(3-Methoxy-3-oxopropyl)-1-methylpyrrolidin-1-ium iodide?
You can request a quote for 1-(3-Methoxy-3-oxopropyl)-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-(3-Methoxy-3-oxopropyl)-1-methylpyrrolidin-1-ium iodide?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methoxy-3-oxopropyl)-1-methylpyrrolidin-1-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.