![1-methyl-1-[(2-methyl-2-{3-[2-(1-methylpyrrolidinium-1-yl)ethoxy]-3-oxopropyl}-1,3-dioxolan-4-yl)methyl]pyrrolidinium diiodide structure](/static/products/535/53593-84-3.png)
1-methyl-1-[(2-methyl-2-{3-[2-(1-methylpyrrolidinium-1-yl)ethoxy]-3-oxopropyl}-1,3-dioxolan-4-yl)methyl]pyrrolidinium diiodide
TL;DR: 1-methyl-1-[(2-methyl-2-{3-[2-(1-methylpyrrolidinium-1-yl)ethoxy]-3-oxopropyl}-1,3-dioxolan-4-yl)methyl]pyrrolidinium diiodide (CAS 53593-84-3) is a chemical compound with molecular formula C20H38I2N2O4 and molecular weight 624.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 3-[2-methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-dioxolan-2-yl]propanoate diiodide
Also Known As: 1-methyl-1-[(2-methyl-2-{3-[2-(1-methylpyrrolidinium-1-yl)ethoxy]-3-oxopropyl}-1,3-dioxolan-4-yl)methyl]pyrrolidinium diiodide, Pyrrolidinium, 1-methyl-1-(2-(3-(2-methyl-4-(1-methylpyrrolidinium-1-ylmethyl)-2-dioxolanyl)propionyloxy)ethyl)-, diiodide, 1-Methyl-1-[(2-methyl-2-{3-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]-3-oxopropyl}-1,3-dioxolan-4-yl)methyl]pyrrolidin-1-ium diiodide, 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 3-[2-methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-dioxolan-2-yl]propanoate diiodide, 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 3-[2-methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-dioxolan-2-yl]propanoate,diiodide
| Molecular Formula | C20H38I2N2O4 |
|---|---|
| Molecular Weight | 624.09 g/mol |
| LogP | -4.0698 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 624.0921 |
| Heavy Atoms | 28 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 53593-84-3 |
|---|---|
| SMILES | CC1(OCC(O1)C[N+]2(CCCC2)C)CCC(=O)OCC[N+]3(CCCC3)C.[I-].[I-] |
| InChIKey | NOJFGMRESKGIJP-UHFFFAOYSA-L |
Product Overview
1-methyl-1-[(2-methyl-2-{3-[2-(1-methylpyrrolidinium-1-yl)ethoxy]-3-oxopropyl}-1,3-dioxolan-4-yl)methyl]pyrrolidinium diiodide (CAS 53593-84-3), with molecular formula C20H38I2N2O4 and molecular weight 624.09 g/mol. IUPAC: 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 3-[2-methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-dioxolan-2-yl]propanoate diiodide.
Chemical Property Profile of 1-methyl-1-[(2-methyl-2-{3-[2-(1-methylpyrrolidinium-1-yl)ethoxy]-3-oxopropyl}-1,3-dioxolan-4-yl)methyl]pyrrolidinium diiodide
Property Insights of 1-methyl-1-[(2-methyl-2-{3-[2-(1-methylpyrrolidinium-1-yl)ethoxy]-3-oxopropyl}-1,3-dioxolan-4-yl)methyl]pyrrolidinium diiodide
The XLogP value of -4.0698 indicates that 1-methyl-1-[(2-methyl-2-{3-[2-(1-methylpyrrolidinium-1-yl)ethoxy]-3-oxopropyl}-1,3-dioxolan-4-yl)methyl]pyrrolidinium diiodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.8 Ų, 1-methyl-1-[(2-methyl-2-{3-[2-(1-methylpyrrolidinium-1-yl)ethoxy]-3-oxopropyl}-1,3-dioxolan-4-yl)methyl]pyrrolidinium diiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-methyl-1-[(2-methyl-2-{3-[2-(1-methylpyrrolidinium-1-yl)ethoxy]-3-oxopropyl}-1,3-dioxolan-4-yl)methyl]pyrrolidinium diiodide has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-methyl-1-[(2-methyl-2-{3-[2-(1-methylpyrrolidinium-1-yl)ethoxy]-3-oxopropyl}-1,3-dioxolan-4-yl)methyl]pyrrolidinium diiodide?
The CAS number of 1-methyl-1-[(2-methyl-2-{3-[2-(1-methylpyrrolidinium-1-yl)ethoxy]-3-oxopropyl}-1,3-dioxolan-4-yl)methyl]pyrrolidinium diiodide is 53593-84-3.
What is the molecular formula of 1-methyl-1-[(2-methyl-2-{3-[2-(1-methylpyrrolidinium-1-yl)ethoxy]-3-oxopropyl}-1,3-dioxolan-4-yl)methyl]pyrrolidinium diiodide?
The molecular formula of 1-methyl-1-[(2-methyl-2-{3-[2-(1-methylpyrrolidinium-1-yl)ethoxy]-3-oxopropyl}-1,3-dioxolan-4-yl)methyl]pyrrolidinium diiodide is C20H38I2N2O4.
What is the molecular weight of 1-methyl-1-[(2-methyl-2-{3-[2-(1-methylpyrrolidinium-1-yl)ethoxy]-3-oxopropyl}-1,3-dioxolan-4-yl)methyl]pyrrolidinium diiodide?
The molecular weight of 1-methyl-1-[(2-methyl-2-{3-[2-(1-methylpyrrolidinium-1-yl)ethoxy]-3-oxopropyl}-1,3-dioxolan-4-yl)methyl]pyrrolidinium diiodide is 624.09 g/mol.
Where can I buy 1-methyl-1-[(2-methyl-2-{3-[2-(1-methylpyrrolidinium-1-yl)ethoxy]-3-oxopropyl}-1,3-dioxolan-4-yl)methyl]pyrrolidinium diiodide?
You can request a quote for 1-methyl-1-[(2-methyl-2-{3-[2-(1-methylpyrrolidinium-1-yl)ethoxy]-3-oxopropyl}-1,3-dioxolan-4-yl)methyl]pyrrolidinium diiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-1-[(2-methyl-2-{3-[2-(1-methylpyrrolidinium-1-yl)ethoxy]-3-oxopropyl}-1,3-dioxolan-4-yl)methyl]pyrrolidinium diiodide?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-1-[(2-methyl-2-{3-[2-(1-methylpyrrolidinium-1-yl)ethoxy]-3-oxopropyl}-1,3-dioxolan-4-yl)methyl]pyrrolidinium diiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.