1-(2-Ethoxy-2-oxoethyl)-2,4,6-trimethylpyridinium
TL;DR: 1-(2-Ethoxy-2-oxoethyl)-2,4,6-trimethylpyridinium (CAS 46398-04-3) is a chemical compound with molecular formula C12H18NO2+ and molecular weight 208.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetate
Also Known As: 1-(2-ethoxy-2-oxoethyl)-2,4,6-trimethylpyridinium, ethyl 2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetate, AQ-405/42300409
| Molecular Formula | C12H18NO2+ |
|---|---|
| Molecular Weight | 208.13 g/mol |
| LogP | 1.46246 |
| Topological Polar Surface Area | 30.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.13376 |
| Heavy Atoms | 15 |
| Complexity | 348.88004 |
Chemical Identifiers
| CAS Number | 46398-04-3 |
|---|---|
| SMILES | CCOC(=O)C[N+]1=C(C=C(C=C1C)C)C |
Product Overview
1-(2-Ethoxy-2-oxoethyl)-2,4,6-trimethylpyridinium (CAS 46398-04-3), with molecular formula C12H18NO2+ and molecular weight 208.13 g/mol. IUPAC: ethyl 2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetate.
Chemical Property Profile of 1-(2-Ethoxy-2-oxoethyl)-2,4,6-trimethylpyridinium
Property Insights of 1-(2-Ethoxy-2-oxoethyl)-2,4,6-trimethylpyridinium
The XLogP value of 1.46246 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Ethoxy-2-oxoethyl)-2,4,6-trimethylpyridinium. With a topological polar surface area (TPSA) of 30.18 Ų, 1-(2-Ethoxy-2-oxoethyl)-2,4,6-trimethylpyridinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Ethoxy-2-oxoethyl)-2,4,6-trimethylpyridinium 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 1-(2-Ethoxy-2-oxoethyl)-2,4,6-trimethylpyridinium?
The CAS number of 1-(2-Ethoxy-2-oxoethyl)-2,4,6-trimethylpyridinium is 46398-04-3.
What is the molecular formula of 1-(2-Ethoxy-2-oxoethyl)-2,4,6-trimethylpyridinium?
The molecular formula of 1-(2-Ethoxy-2-oxoethyl)-2,4,6-trimethylpyridinium is C12H18NO2+.
What is the molecular weight of 1-(2-Ethoxy-2-oxoethyl)-2,4,6-trimethylpyridinium?
The molecular weight of 1-(2-Ethoxy-2-oxoethyl)-2,4,6-trimethylpyridinium is 208.13 g/mol.
Where can I buy 1-(2-Ethoxy-2-oxoethyl)-2,4,6-trimethylpyridinium?
You can request a quote for 1-(2-Ethoxy-2-oxoethyl)-2,4,6-trimethylpyridinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Ethoxy-2-oxoethyl)-2,4,6-trimethylpyridinium?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Ethoxy-2-oxoethyl)-2,4,6-trimethylpyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.