1-(2-Ethoxy-2-oxoethyl)-2-methylpyridinium
TL;DR: 1-(2-Ethoxy-2-oxoethyl)-2-methylpyridinium (CAS 64995-41-1) is a chemical compound with molecular formula C10H14NO2+ and molecular weight 180.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-methylpyridin-1-ium-1-yl)acetate
Also Known As: ChemDiv3_004641, NCIOpen2_006435, 1-(2-ethoxy-2-oxoethyl)-2-methylpyridinium, 1-(2-ethoxy-2-oxoethyl)-2-methylpyridin-1-ium, ethyl 2-(2-methylpyridyl)acetate
| Molecular Formula | C10H14NO2+ |
|---|---|
| Molecular Weight | 180.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.10245 |
| Heavy Atoms | 13 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 64995-41-1 |
|---|---|
| SMILES | CCOC(=O)C[N+]1=CC=CC=C1C |
| InChIKey | NDSUTDOLHJFILQ-UHFFFAOYSA-N |
Product Overview
1-(2-Ethoxy-2-oxoethyl)-2-methylpyridinium (CAS 64995-41-1), with molecular formula C10H14NO2+ and molecular weight 180.10 g/mol. IUPAC: ethyl 2-(2-methylpyridin-1-ium-1-yl)acetate.
Chemical Property Profile of 1-(2-Ethoxy-2-oxoethyl)-2-methylpyridinium
Property Insights of 1-(2-Ethoxy-2-oxoethyl)-2-methylpyridinium
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Ethoxy-2-oxoethyl)-2-methylpyridinium. With a topological polar surface area (TPSA) of 30.2 Ų, 1-(2-Ethoxy-2-oxoethyl)-2-methylpyridinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Ethoxy-2-oxoethyl)-2-methylpyridinium 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-methylpyridinium?
The CAS number of 1-(2-Ethoxy-2-oxoethyl)-2-methylpyridinium is 64995-41-1.
What is the molecular formula of 1-(2-Ethoxy-2-oxoethyl)-2-methylpyridinium?
The molecular formula of 1-(2-Ethoxy-2-oxoethyl)-2-methylpyridinium is C10H14NO2+.
What is the molecular weight of 1-(2-Ethoxy-2-oxoethyl)-2-methylpyridinium?
The molecular weight of 1-(2-Ethoxy-2-oxoethyl)-2-methylpyridinium is 180.10 g/mol.
Where can I buy 1-(2-Ethoxy-2-oxoethyl)-2-methylpyridinium?
You can request a quote for 1-(2-Ethoxy-2-oxoethyl)-2-methylpyridinium 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-methylpyridinium?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Ethoxy-2-oxoethyl)-2-methylpyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.