(3-Acetoxy-phenyl)-trimethyl-ammonium
TL;DR: (3-Acetoxy-phenyl)-trimethyl-ammonium (CAS 18997-86-9) is a chemical compound with molecular formula C11H16NO2+ and molecular weight 194.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-acetyloxyphenyl)-trimethylazanium
Also Known As: (3-acetyloxyphenyl)-trimethylazanium, (3-acetyloxyphenyl)-trimethyl-azanium, (3-Acetoxy-phenyl)-trimethyl-ammonium, 3-Acetoxyphenyl-N,N,N-trimethylaminium, 3-(acetyloxy)-N,N,N-trimethylanilinium
| Molecular Formula | C11H16NO2+ |
|---|---|
| Molecular Weight | 194.12 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.1181 |
| Heavy Atoms | 14 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 18997-86-9 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC(=C1)[N+](C)(C)C |
| InChIKey | OEUQDGNNEYCCQW-UHFFFAOYSA-N |
Product Overview
(3-Acetoxy-phenyl)-trimethyl-ammonium (CAS 18997-86-9), with molecular formula C11H16NO2+ and molecular weight 194.12 g/mol. IUPAC: (3-acetyloxyphenyl)-trimethylazanium.
Chemical Property Profile of (3-Acetoxy-phenyl)-trimethyl-ammonium
Property Insights of (3-Acetoxy-phenyl)-trimethyl-ammonium
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Acetoxy-phenyl)-trimethyl-ammonium. With a topological polar surface area (TPSA) of 26.3 Ų, (3-Acetoxy-phenyl)-trimethyl-ammonium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Acetoxy-phenyl)-trimethyl-ammonium 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 (3-Acetoxy-phenyl)-trimethyl-ammonium?
The CAS number of (3-Acetoxy-phenyl)-trimethyl-ammonium is 18997-86-9.
What is the molecular formula of (3-Acetoxy-phenyl)-trimethyl-ammonium?
The molecular formula of (3-Acetoxy-phenyl)-trimethyl-ammonium is C11H16NO2+.
What is the molecular weight of (3-Acetoxy-phenyl)-trimethyl-ammonium?
The molecular weight of (3-Acetoxy-phenyl)-trimethyl-ammonium is 194.12 g/mol.
Where can I buy (3-Acetoxy-phenyl)-trimethyl-ammonium?
You can request a quote for (3-Acetoxy-phenyl)-trimethyl-ammonium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Acetoxy-phenyl)-trimethyl-ammonium?
Yes, KEHONG BIO provides custom synthesis services for (3-Acetoxy-phenyl)-trimethyl-ammonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.