Ammonium, (2-benzoylethyl)(2-hydroxyethyl)dimethyl-, iodide, acetate
TL;DR: Ammonium, (2-benzoylethyl)(2-hydroxyethyl)dimethyl-, iodide, acetate (CAS 19876-54-1) is a chemical compound with molecular formula C15H22INO3 and molecular weight 391.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyloxyethyl-dimethyl-(3-oxo-3-phenylpropyl)azanium iodide
Also Known As: (2-Benzoylethyl)(2-hydroxyethyl)dimethylammonium iodide acetate, Ammonium, (2-benzoylethyl)(2-hydroxyethyl)dimethyl-, iodide, acetate, n-[2-(acetyloxy)ethyl]-n,n-dimethyl-3-oxo-3-phenylpropan-1-aminium iodide, 2-acetyloxyethyl-dimethyl-(3-oxo-3-phenylpropyl)azanium iodide, RefChem:318778
| Molecular Formula | C15H22INO3 |
|---|---|
| Molecular Weight | 391.06 g/mol |
| LogP | -1.0971 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 391.06445 |
| Heavy Atoms | 20 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 19876-54-1 |
|---|---|
| SMILES | CC(=O)OCC[N+](C)(C)CCC(=O)C1=CC=CC=C1.[I-] |
| InChIKey | SKRDZHGOIPNGRD-UHFFFAOYSA-M |
Product Overview
Ammonium, (2-benzoylethyl)(2-hydroxyethyl)dimethyl-, iodide, acetate (CAS 19876-54-1), with molecular formula C15H22INO3 and molecular weight 391.06 g/mol. IUPAC: 2-acetyloxyethyl-dimethyl-(3-oxo-3-phenylpropyl)azanium iodide.
Chemical Property Profile of Ammonium, (2-benzoylethyl)(2-hydroxyethyl)dimethyl-, iodide, acetate
Property Insights of Ammonium, (2-benzoylethyl)(2-hydroxyethyl)dimethyl-, iodide, acetate
The XLogP value of -1.0971 indicates that Ammonium, (2-benzoylethyl)(2-hydroxyethyl)dimethyl-, iodide, acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.4 Ų, Ammonium, (2-benzoylethyl)(2-hydroxyethyl)dimethyl-, iodide, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (2-benzoylethyl)(2-hydroxyethyl)dimethyl-, iodide, acetate 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-benzoylethyl)(2-hydroxyethyl)dimethyl-, iodide, acetate?
The CAS number of Ammonium, (2-benzoylethyl)(2-hydroxyethyl)dimethyl-, iodide, acetate is 19876-54-1.
What is the molecular formula of Ammonium, (2-benzoylethyl)(2-hydroxyethyl)dimethyl-, iodide, acetate?
The molecular formula of Ammonium, (2-benzoylethyl)(2-hydroxyethyl)dimethyl-, iodide, acetate is C15H22INO3.
What is the molecular weight of Ammonium, (2-benzoylethyl)(2-hydroxyethyl)dimethyl-, iodide, acetate?
The molecular weight of Ammonium, (2-benzoylethyl)(2-hydroxyethyl)dimethyl-, iodide, acetate is 391.06 g/mol.
Where can I buy Ammonium, (2-benzoylethyl)(2-hydroxyethyl)dimethyl-, iodide, acetate?
You can request a quote for Ammonium, (2-benzoylethyl)(2-hydroxyethyl)dimethyl-, iodide, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, (2-benzoylethyl)(2-hydroxyethyl)dimethyl-, iodide, acetate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, (2-benzoylethyl)(2-hydroxyethyl)dimethyl-, iodide, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.