Ethanaminium, 2-(benzoyloxy)-N,N,N-trimethyl-, iodide (1:1)
TL;DR: Ethanaminium, 2-(benzoyloxy)-N,N,N-trimethyl-, iodide (1:1) (CAS 17518-43-3) is a chemical compound with molecular formula C12H18INO2 and molecular weight 335.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoyloxyethyl(trimethyl)azanium iodide
Also Known As: Benzoylcholine iodide, Choline, benzoate, Benzoylcholineiodide, Choline, iodide, benzoate, Choline, iodide benzoate
| Molecular Formula | C12H18INO2 |
|---|---|
| Molecular Weight | 335.04 g/mol |
| LogP | -1.45 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.03824 |
| Heavy Atoms | 16 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 17518-43-3 |
|---|---|
| SMILES | C[N+](C)(C)CCOC(=O)C1=CC=CC=C1.[I-] |
| InChIKey | XILQCEGWGBSDSH-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanaminium, 2-(benzoyloxy)-N,N,N-trimethyl-, iodide (1:1) (CAS 17518-43-3), with molecular formula C12H18INO2 and molecular weight 335.04 g/mol. IUPAC: 2-benzoyloxyethyl(trimethyl)azanium iodide.
Chemical Property Profile of Ethanaminium, 2-(benzoyloxy)-N,N,N-trimethyl-, iodide (1:1)
Property Insights of Ethanaminium, 2-(benzoyloxy)-N,N,N-trimethyl-, iodide (1:1)
The XLogP value of -1.45 indicates that Ethanaminium, 2-(benzoyloxy)-N,N,N-trimethyl-, iodide (1:1) 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, Ethanaminium, 2-(benzoyloxy)-N,N,N-trimethyl-, iodide (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanaminium, 2-(benzoyloxy)-N,N,N-trimethyl-, iodide (1:1) has 0 hydrogen bond donor(s) and 3 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 Ethanaminium, 2-(benzoyloxy)-N,N,N-trimethyl-, iodide (1:1)?
The CAS number of Ethanaminium, 2-(benzoyloxy)-N,N,N-trimethyl-, iodide (1:1) is 17518-43-3.
What is the molecular formula of Ethanaminium, 2-(benzoyloxy)-N,N,N-trimethyl-, iodide (1:1)?
The molecular formula of Ethanaminium, 2-(benzoyloxy)-N,N,N-trimethyl-, iodide (1:1) is C12H18INO2.
What is the molecular weight of Ethanaminium, 2-(benzoyloxy)-N,N,N-trimethyl-, iodide (1:1)?
The molecular weight of Ethanaminium, 2-(benzoyloxy)-N,N,N-trimethyl-, iodide (1:1) is 335.04 g/mol.
Where can I buy Ethanaminium, 2-(benzoyloxy)-N,N,N-trimethyl-, iodide (1:1)?
You can request a quote for Ethanaminium, 2-(benzoyloxy)-N,N,N-trimethyl-, iodide (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanaminium, 2-(benzoyloxy)-N,N,N-trimethyl-, iodide (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Ethanaminium, 2-(benzoyloxy)-N,N,N-trimethyl-, iodide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.