Ethanaminium, N,N,N-trimethyl-2-(1-oxo-3-phenylpropoxy)-
TL;DR: Ethanaminium, N,N,N-trimethyl-2-(1-oxo-3-phenylpropoxy)- (CAS 58979-36-5) is a chemical compound with molecular formula C14H22NO2+ and molecular weight 236.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[2-(3-phenylpropanoyloxy)ethyl]azanium
Also Known As: Trimethyl-[2-(3-phenylpropanoyloxy)ethyl]azanium, Ethanaminium, N,N,N-trimethyl-2-(1-oxo-3-phenylpropoxy)-, 3-Phenylpropionic acid 2-(trimethylaminio)ethyl ester, N,N,N-trimethyl-2-[(3-phenylpropanoyl)oxy]ethanaminium, N,N,N-Trimethyl-2-[(3-phenylpropanoyl)oxy]ethan-1-aminium
| Molecular Formula | C14H22NO2+ |
|---|---|
| Molecular Weight | 236.17 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 236.16505 |
| Heavy Atoms | 17 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 58979-36-5 |
|---|---|
| SMILES | C[N+](C)(C)CCOC(=O)CCC1=CC=CC=C1 |
| InChIKey | UUSHEWPJJDGXOU-UHFFFAOYSA-N |
Product Overview
Ethanaminium, N,N,N-trimethyl-2-(1-oxo-3-phenylpropoxy)- (CAS 58979-36-5), with molecular formula C14H22NO2+ and molecular weight 236.17 g/mol. IUPAC: trimethyl-[2-(3-phenylpropanoyloxy)ethyl]azanium.
Chemical Property Profile of Ethanaminium, N,N,N-trimethyl-2-(1-oxo-3-phenylpropoxy)-
Property Insights of Ethanaminium, N,N,N-trimethyl-2-(1-oxo-3-phenylpropoxy)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanaminium, N,N,N-trimethyl-2-(1-oxo-3-phenylpropoxy)-. With a topological polar surface area (TPSA) of 26.3 Ų, Ethanaminium, N,N,N-trimethyl-2-(1-oxo-3-phenylpropoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanaminium, N,N,N-trimethyl-2-(1-oxo-3-phenylpropoxy)- 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 Ethanaminium, N,N,N-trimethyl-2-(1-oxo-3-phenylpropoxy)-?
The CAS number of Ethanaminium, N,N,N-trimethyl-2-(1-oxo-3-phenylpropoxy)- is 58979-36-5.
What is the molecular formula of Ethanaminium, N,N,N-trimethyl-2-(1-oxo-3-phenylpropoxy)-?
The molecular formula of Ethanaminium, N,N,N-trimethyl-2-(1-oxo-3-phenylpropoxy)- is C14H22NO2+.
What is the molecular weight of Ethanaminium, N,N,N-trimethyl-2-(1-oxo-3-phenylpropoxy)-?
The molecular weight of Ethanaminium, N,N,N-trimethyl-2-(1-oxo-3-phenylpropoxy)- is 236.17 g/mol.
Where can I buy Ethanaminium, N,N,N-trimethyl-2-(1-oxo-3-phenylpropoxy)-?
You can request a quote for Ethanaminium, N,N,N-trimethyl-2-(1-oxo-3-phenylpropoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanaminium, N,N,N-trimethyl-2-(1-oxo-3-phenylpropoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanaminium, N,N,N-trimethyl-2-(1-oxo-3-phenylpropoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.