Morpholinium, 4-(2-carboxyethyl)-4-methyl-, iodide, ester with choline iodide
TL;DR: Morpholinium, 4-(2-carboxyethyl)-4-methyl-, iodide, ester with choline iodide (CAS 109127-46-0) is a chemical compound with molecular formula C13H28I2N2O3 and molecular weight 514.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[2-[3-(4-methylmorpholin-4-ium-4-yl)propanoyloxy]ethyl]azanium diiodide
Also Known As: NIOSH/QF3355600, 4-(2-Carboxyethyl)-4-methylmorpholinium iodide ester with choline iodide, Morpholinium, 4-(2-carboxyethyl)-4-methyl-, iodide, ester with choline iodide, trimethyl-[2-[3-(4-methylmorpholin-4-ium-4-yl)propanoyloxy]e, 2-Trimethylammonioethyl 3-(4-methylmorpholinio)propionate diiodide
| Molecular Formula | C13H28I2N2O3 |
|---|---|
| Molecular Weight | 514.02 g/mol |
| LogP | -5.8893 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 514.0189 |
| Heavy Atoms | 20 |
| Complexity | 277.28006 |
Chemical Identifiers
| CAS Number | 109127-46-0 |
|---|---|
| SMILES | C[N+]1(CCOCC1)CCC(=O)OCC[N+](C)(C)C.[I-].[I-] |
Product Overview
Morpholinium, 4-(2-carboxyethyl)-4-methyl-, iodide, ester with choline iodide (CAS 109127-46-0), with molecular formula C13H28I2N2O3 and molecular weight 514.02 g/mol. IUPAC: trimethyl-[2-[3-(4-methylmorpholin-4-ium-4-yl)propanoyloxy]ethyl]azanium diiodide.
Chemical Property Profile of Morpholinium, 4-(2-carboxyethyl)-4-methyl-, iodide, ester with choline iodide
Property Insights of Morpholinium, 4-(2-carboxyethyl)-4-methyl-, iodide, ester with choline iodide
The XLogP value of -5.8893 indicates that Morpholinium, 4-(2-carboxyethyl)-4-methyl-, iodide, ester with choline iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 35.53 Ų, Morpholinium, 4-(2-carboxyethyl)-4-methyl-, iodide, ester with choline iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Morpholinium, 4-(2-carboxyethyl)-4-methyl-, iodide, ester with choline iodide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Morpholinium, 4-(2-carboxyethyl)-4-methyl-, iodide, ester with choline iodide?
The CAS number of Morpholinium, 4-(2-carboxyethyl)-4-methyl-, iodide, ester with choline iodide is 109127-46-0.
What is the molecular formula of Morpholinium, 4-(2-carboxyethyl)-4-methyl-, iodide, ester with choline iodide?
The molecular formula of Morpholinium, 4-(2-carboxyethyl)-4-methyl-, iodide, ester with choline iodide is C13H28I2N2O3.
What is the molecular weight of Morpholinium, 4-(2-carboxyethyl)-4-methyl-, iodide, ester with choline iodide?
The molecular weight of Morpholinium, 4-(2-carboxyethyl)-4-methyl-, iodide, ester with choline iodide is 514.02 g/mol.
Where can I buy Morpholinium, 4-(2-carboxyethyl)-4-methyl-, iodide, ester with choline iodide?
You can request a quote for Morpholinium, 4-(2-carboxyethyl)-4-methyl-, iodide, ester with choline iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Morpholinium, 4-(2-carboxyethyl)-4-methyl-, iodide, ester with choline iodide?
Yes, KEHONG BIO provides custom synthesis services for Morpholinium, 4-(2-carboxyethyl)-4-methyl-, iodide, ester with choline iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.