Ammonium, (2-carboxyethyl)trimethyl-, iodide, ester with choline iodide
TL;DR: Ammonium, (2-carboxyethyl)trimethyl-, iodide, ester with choline iodide (CAS 82278-60-2) is a chemical compound with molecular formula C11H26I2N2O2 and molecular weight 472.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[3-oxo-3-[2-(trimethylazaniumyl)ethoxy]propyl]azanium diiodide
Also Known As: NIOSH/TX2266000, (2-Carboxyethyl)trimethylammonium iodide ester with choline iodide, AMMONIUM, (2-CARBOXYETHYL)TRIMETHYL-, IODIDE, ESTER with CHOLINE IODIDE, 1-Propanaminium, N,N,N-trimethyl-3-oxo-3-(2-(trimethylammonio)ethoxy)-, diiodide, 2-Trimethylammonioethyl 3-trimethylammoniopropionate diiodide
| Molecular Formula | C11H26I2N2O2 |
|---|---|
| Molecular Weight | 472.01 g/mol |
| LogP | -5.66 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 472.00836 |
| Heavy Atoms | 17 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 82278-60-2 |
|---|---|
| SMILES | C[N+](C)(C)CCC(=O)OCC[N+](C)(C)C.[I-].[I-] |
| InChIKey | JYRUXVXCMXZNKO-UHFFFAOYSA-L |
Product Overview
Ammonium, (2-carboxyethyl)trimethyl-, iodide, ester with choline iodide (CAS 82278-60-2), with molecular formula C11H26I2N2O2 and molecular weight 472.01 g/mol. IUPAC: trimethyl-[3-oxo-3-[2-(trimethylazaniumyl)ethoxy]propyl]azanium diiodide.
Chemical Property Profile of Ammonium, (2-carboxyethyl)trimethyl-, iodide, ester with choline iodide
Property Insights of Ammonium, (2-carboxyethyl)trimethyl-, iodide, ester with choline iodide
The XLogP value of -5.66 indicates that Ammonium, (2-carboxyethyl)trimethyl-, 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 26.3 Ų, Ammonium, (2-carboxyethyl)trimethyl-, iodide, ester with choline iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (2-carboxyethyl)trimethyl-, iodide, ester with choline iodide has 0 hydrogen bond donor(s) and 4 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 Ammonium, (2-carboxyethyl)trimethyl-, iodide, ester with choline iodide?
The CAS number of Ammonium, (2-carboxyethyl)trimethyl-, iodide, ester with choline iodide is 82278-60-2.
What is the molecular formula of Ammonium, (2-carboxyethyl)trimethyl-, iodide, ester with choline iodide?
The molecular formula of Ammonium, (2-carboxyethyl)trimethyl-, iodide, ester with choline iodide is C11H26I2N2O2.
What is the molecular weight of Ammonium, (2-carboxyethyl)trimethyl-, iodide, ester with choline iodide?
The molecular weight of Ammonium, (2-carboxyethyl)trimethyl-, iodide, ester with choline iodide is 472.01 g/mol.
Where can I buy Ammonium, (2-carboxyethyl)trimethyl-, iodide, ester with choline iodide?
You can request a quote for Ammonium, (2-carboxyethyl)trimethyl-, 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 Ammonium, (2-carboxyethyl)trimethyl-, iodide, ester with choline iodide?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, (2-carboxyethyl)trimethyl-, iodide, ester with choline iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.