(2-Benzoylethyl)trimethylammonium
TL;DR: (2-Benzoylethyl)trimethylammonium (CAS 67190-44-7) is a chemical compound with molecular formula C12H18NO+ and molecular weight 192.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-(3-oxo-3-phenylpropyl)azanium
Also Known As: trimethyl- azanium, (2-Benzoylethyl)trimethylammonium, TRIMETHYLAMMONIUM, NCIOpen2_008256, 2-Benzoylethyltrimethylaminium
| Molecular Formula | C12H18NO+ |
|---|---|
| Molecular Weight | 192.14 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.13884 |
| Heavy Atoms | 14 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 67190-44-7 |
|---|---|
| SMILES | C[N+](C)(C)CCC(=O)C1=CC=CC=C1 |
| InChIKey | NCTDMVAFTYBEOP-UHFFFAOYSA-N |
Product Overview
(2-Benzoylethyl)trimethylammonium (CAS 67190-44-7), with molecular formula C12H18NO+ and molecular weight 192.14 g/mol. IUPAC: trimethyl-(3-oxo-3-phenylpropyl)azanium.
Chemical Property Profile of (2-Benzoylethyl)trimethylammonium
Property Insights of (2-Benzoylethyl)trimethylammonium
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Benzoylethyl)trimethylammonium. With a topological polar surface area (TPSA) of 17.1 Ų, (2-Benzoylethyl)trimethylammonium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Benzoylethyl)trimethylammonium 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 (2-Benzoylethyl)trimethylammonium?
The CAS number of (2-Benzoylethyl)trimethylammonium is 67190-44-7.
What is the molecular formula of (2-Benzoylethyl)trimethylammonium?
The molecular formula of (2-Benzoylethyl)trimethylammonium is C12H18NO+.
What is the molecular weight of (2-Benzoylethyl)trimethylammonium?
The molecular weight of (2-Benzoylethyl)trimethylammonium is 192.14 g/mol.
Where can I buy (2-Benzoylethyl)trimethylammonium?
You can request a quote for (2-Benzoylethyl)trimethylammonium 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?
Yes, KEHONG BIO provides custom synthesis services for (2-Benzoylethyl)trimethylammonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.