Emetonium
TL;DR: Emetonium (CAS 19213-48-0) is a chemical compound with molecular formula C20H28NO+ and molecular weight 298.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzhydryloxyethyl-diethyl-methylazanium
Also Known As: Emetonium, Metropin, Esyntin, emetonium iodide, Emetonium [WHO-DD]
| Molecular Formula | C20H28NO+ |
|---|---|
| Molecular Weight | 298.22 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 8 |
| Exact Mass | 298.2171 |
| Heavy Atoms | 22 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 19213-48-0 |
|---|---|
| SMILES | CC[N+](C)(CC)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 |
| InChIKey | IHFMXHPNVAVTCJ-UHFFFAOYSA-N |
Product Overview
Emetonium (CAS 19213-48-0), with molecular formula C20H28NO+ and molecular weight 298.22 g/mol. IUPAC: 2-benzhydryloxyethyl-diethyl-methylazanium.
Chemical Property Profile of Emetonium
Property Insights of Emetonium
The XLogP value of 4.1 indicates that Emetonium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Emetonium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Emetonium has 0 hydrogen bond donor(s) and 1 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 Emetonium?
The CAS number of Emetonium is 19213-48-0.
What is the molecular formula of Emetonium?
The molecular formula of Emetonium is C20H28NO+.
What is the molecular weight of Emetonium?
The molecular weight of Emetonium is 298.22 g/mol.
Where can I buy Emetonium?
You can request a quote for Emetonium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Emetonium?
Yes, KEHONG BIO provides custom synthesis services for Emetonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.