Ammonium, (2-carboxy-1-methylethyl)trimethyl-, iodide, ester with choline iodide
TL;DR: Ammonium, (2-carboxy-1-methylethyl)trimethyl-, iodide, ester with choline iodide (CAS 108955-72-2) is a chemical compound with molecular formula C12H28I2N2O2 and molecular weight 486.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butan-2-yl]azanium diiodide
Also Known As: NIOSH/EJ4171900, (2-Carboxy-1-methylethyl)trimethylammonium iodide ester with choline iodide, AMMONIUM, (2-CARBOXY-1-METHYLETHYL)TRIMETHYL-, IODIDE, ESTER with CHOLINE IODIDE, 2-Trimethylammonioethyl 3-trimethylammoniobutyrate diiodide, Trimethyl-[4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butan-2-yl]azaniumdiiodide
| Molecular Formula | C12H28I2N2O2 |
|---|---|
| Molecular Weight | 486.02 g/mol |
| LogP | -5.27 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 486.02402 |
| Heavy Atoms | 18 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 108955-72-2 |
|---|---|
| SMILES | CC(CC(=O)OCC[N+](C)(C)C)[N+](C)(C)C.[I-].[I-] |
| InChIKey | KRJQOGNCRQKATO-UHFFFAOYSA-L |
Product Overview
Ammonium, (2-carboxy-1-methylethyl)trimethyl-, iodide, ester with choline iodide (CAS 108955-72-2), with molecular formula C12H28I2N2O2 and molecular weight 486.02 g/mol. IUPAC: trimethyl-[4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butan-2-yl]azanium diiodide.
Chemical Property Profile of Ammonium, (2-carboxy-1-methylethyl)trimethyl-, iodide, ester with choline iodide
Property Insights of Ammonium, (2-carboxy-1-methylethyl)trimethyl-, iodide, ester with choline iodide
The XLogP value of -5.27 indicates that Ammonium, (2-carboxy-1-methylethyl)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-carboxy-1-methylethyl)trimethyl-, iodide, ester with choline iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (2-carboxy-1-methylethyl)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-carboxy-1-methylethyl)trimethyl-, iodide, ester with choline iodide?
The CAS number of Ammonium, (2-carboxy-1-methylethyl)trimethyl-, iodide, ester with choline iodide is 108955-72-2.
What is the molecular formula of Ammonium, (2-carboxy-1-methylethyl)trimethyl-, iodide, ester with choline iodide?
The molecular formula of Ammonium, (2-carboxy-1-methylethyl)trimethyl-, iodide, ester with choline iodide is C12H28I2N2O2.
What is the molecular weight of Ammonium, (2-carboxy-1-methylethyl)trimethyl-, iodide, ester with choline iodide?
The molecular weight of Ammonium, (2-carboxy-1-methylethyl)trimethyl-, iodide, ester with choline iodide is 486.02 g/mol.
Where can I buy Ammonium, (2-carboxy-1-methylethyl)trimethyl-, iodide, ester with choline iodide?
You can request a quote for Ammonium, (2-carboxy-1-methylethyl)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-carboxy-1-methylethyl)trimethyl-, iodide, ester with choline iodide?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, (2-carboxy-1-methylethyl)trimethyl-, iodide, ester with choline iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.