1-Ethyl-1-(2-((3,4,5-trimethoxybenzoyl)oxy)ethyl)pyrrolidin-1-ium iodide
TL;DR: 1-Ethyl-1-(2-((3,4,5-trimethoxybenzoyl)oxy)ethyl)pyrrolidin-1-ium iodide (CAS 3088-28-6) is a chemical compound with molecular formula C18H28INO5 and molecular weight 465.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-ethylpyrrolidin-1-ium-1-yl)ethyl 3,4,5-trimethoxybenzoate iodide
Also Known As: Troxypyrrolidinium iodide, Troxypyrrolium tosylate, N-Ethyl-N-(2-(3,4,5-trimethoxybenzoyloxy)ethyl)pyrrolidinium iodide, 1-Ethyl-1-(2-hydroxyethyl)pyrrolidinium iodide 3,4,5-trimethoxybenzoate, Pyrrolidinium, 1-ethyl-1-(2-((3,4,5-trimethoxybenzoyl)oxy)ethyl)-, iodide
| Molecular Formula | C18H28INO5 |
|---|---|
| Molecular Weight | 465.10 g/mol |
| LogP | -0.4963 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 465.10123 |
| Heavy Atoms | 25 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 3088-28-6 |
|---|---|
| SMILES | CC[N+]1(CCCC1)CCOC(=O)C2=CC(=C(C(=C2)OC)OC)OC.[I-] |
| InChIKey | HFZMPHCQFRQXLZ-UHFFFAOYSA-M |
Product Overview
1-Ethyl-1-(2-((3,4,5-trimethoxybenzoyl)oxy)ethyl)pyrrolidin-1-ium iodide (CAS 3088-28-6), with molecular formula C18H28INO5 and molecular weight 465.10 g/mol. IUPAC: 2-(1-ethylpyrrolidin-1-ium-1-yl)ethyl 3,4,5-trimethoxybenzoate iodide.
Chemical Property Profile of 1-Ethyl-1-(2-((3,4,5-trimethoxybenzoyl)oxy)ethyl)pyrrolidin-1-ium iodide
Property Insights of 1-Ethyl-1-(2-((3,4,5-trimethoxybenzoyl)oxy)ethyl)pyrrolidin-1-ium iodide
The XLogP value of -0.4963 indicates that 1-Ethyl-1-(2-((3,4,5-trimethoxybenzoyl)oxy)ethyl)pyrrolidin-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 54.0 Ų, 1-Ethyl-1-(2-((3,4,5-trimethoxybenzoyl)oxy)ethyl)pyrrolidin-1-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethyl-1-(2-((3,4,5-trimethoxybenzoyl)oxy)ethyl)pyrrolidin-1-ium iodide has 0 hydrogen bond donor(s) and 6 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-Ethyl-1-(2-((3,4,5-trimethoxybenzoyl)oxy)ethyl)pyrrolidin-1-ium iodide?
The CAS number of 1-Ethyl-1-(2-((3,4,5-trimethoxybenzoyl)oxy)ethyl)pyrrolidin-1-ium iodide is 3088-28-6.
What is the molecular formula of 1-Ethyl-1-(2-((3,4,5-trimethoxybenzoyl)oxy)ethyl)pyrrolidin-1-ium iodide?
The molecular formula of 1-Ethyl-1-(2-((3,4,5-trimethoxybenzoyl)oxy)ethyl)pyrrolidin-1-ium iodide is C18H28INO5.
What is the molecular weight of 1-Ethyl-1-(2-((3,4,5-trimethoxybenzoyl)oxy)ethyl)pyrrolidin-1-ium iodide?
The molecular weight of 1-Ethyl-1-(2-((3,4,5-trimethoxybenzoyl)oxy)ethyl)pyrrolidin-1-ium iodide is 465.10 g/mol.
Where can I buy 1-Ethyl-1-(2-((3,4,5-trimethoxybenzoyl)oxy)ethyl)pyrrolidin-1-ium iodide?
You can request a quote for 1-Ethyl-1-(2-((3,4,5-trimethoxybenzoyl)oxy)ethyl)pyrrolidin-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-Ethyl-1-(2-((3,4,5-trimethoxybenzoyl)oxy)ethyl)pyrrolidin-1-ium iodide?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-1-(2-((3,4,5-trimethoxybenzoyl)oxy)ethyl)pyrrolidin-1-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.