(2-Benzoylethyl)trimethylammonium iodide
TL;DR: (2-Benzoylethyl)trimethylammonium iodide (CAS 5724-15-2) is a chemical compound with molecular formula C12H18INO and molecular weight 319.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-(3-oxo-3-phenylpropyl)azanium iodide
Also Known As: (2-Benzoylethyl)trimethylammonium iodide, Sid 777840, Ammonium, (2-benzoylethyl)trimethyl-, iodide, trimethyl-(3-oxo-3-phenylpropyl)azanium iodide, trimethyl-(3-oxo-3-phenylpropyl)azanium,iodide
| Molecular Formula | C12H18INO |
|---|---|
| Molecular Weight | 319.04 g/mol |
| LogP | -1.0304 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.0433 |
| Heavy Atoms | 15 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 5724-15-2 |
|---|---|
| SMILES | C[N+](C)(C)CCC(=O)C1=CC=CC=C1.[I-] |
| InChIKey | GLKZEYDFHOFHIO-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-Benzoylethyl)trimethylammonium iodide (CAS 5724-15-2), with molecular formula C12H18INO and molecular weight 319.04 g/mol. IUPAC: trimethyl-(3-oxo-3-phenylpropyl)azanium iodide.
Chemical Property Profile of (2-Benzoylethyl)trimethylammonium iodide
Property Insights of (2-Benzoylethyl)trimethylammonium iodide
The XLogP value of -1.0304 indicates that (2-Benzoylethyl)trimethylammonium iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 17.1 Ų, (2-Benzoylethyl)trimethylammonium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Benzoylethyl)trimethylammonium iodide has 0 hydrogen bond donor(s) and 2 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 (2-Benzoylethyl)trimethylammonium iodide?
The CAS number of (2-Benzoylethyl)trimethylammonium iodide is 5724-15-2.
What is the molecular formula of (2-Benzoylethyl)trimethylammonium iodide?
The molecular formula of (2-Benzoylethyl)trimethylammonium iodide is C12H18INO.
What is the molecular weight of (2-Benzoylethyl)trimethylammonium iodide?
The molecular weight of (2-Benzoylethyl)trimethylammonium iodide is 319.04 g/mol.
Where can I buy (2-Benzoylethyl)trimethylammonium iodide?
You can request a quote for (2-Benzoylethyl)trimethylammonium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Benzoylethyl)trimethylammonium iodide?
Yes, KEHONG BIO provides custom synthesis services for (2-Benzoylethyl)trimethylammonium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.