1-Ethyl-4-(methoxycarbonyl)pyridinium
TL;DR: 1-Ethyl-4-(methoxycarbonyl)pyridinium (CAS 48128-20-7) is a chemical compound with molecular formula C9H12NO2+ and molecular weight 166.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-ethylpyridin-1-ium-4-carboxylate
Also Known As: 1-ethyl-4-(methoxycarbonyl)pyridinium, 1-Ethyl-4-carbomethoxypyridiniumion, 1-Ethyl-4-methoxycarbonylpyridinium, 4-Methoxycarbonyl-1-ethylpyridinium, 4-(Methoxycarbonyl)-1-ethylpyridinium
| Molecular Formula | C9H12NO2+ |
|---|---|
| Molecular Weight | 166.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.0868 |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 48128-20-7 |
|---|---|
| SMILES | CC[N+]1=CC=C(C=C1)C(=O)OC |
| InChIKey | CXUZILQYXHNBRR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Ethyl-4-(methoxycarbonyl)pyridinium (CAS 48128-20-7), with molecular formula C9H12NO2+ and molecular weight 166.09 g/mol. IUPAC: methyl 1-ethylpyridin-1-ium-4-carboxylate.
Chemical Property Profile of 1-Ethyl-4-(methoxycarbonyl)pyridinium
Property Insights of 1-Ethyl-4-(methoxycarbonyl)pyridinium
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-4-(methoxycarbonyl)pyridinium. With a topological polar surface area (TPSA) of 30.2 Ų, 1-Ethyl-4-(methoxycarbonyl)pyridinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethyl-4-(methoxycarbonyl)pyridinium 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-Ethyl-4-(methoxycarbonyl)pyridinium?
The CAS number of 1-Ethyl-4-(methoxycarbonyl)pyridinium is 48128-20-7.
What is the molecular formula of 1-Ethyl-4-(methoxycarbonyl)pyridinium?
The molecular formula of 1-Ethyl-4-(methoxycarbonyl)pyridinium is C9H12NO2+.
What is the molecular weight of 1-Ethyl-4-(methoxycarbonyl)pyridinium?
The molecular weight of 1-Ethyl-4-(methoxycarbonyl)pyridinium is 166.09 g/mol.
Where can I buy 1-Ethyl-4-(methoxycarbonyl)pyridinium?
You can request a quote for 1-Ethyl-4-(methoxycarbonyl)pyridinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-4-(methoxycarbonyl)pyridinium?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-4-(methoxycarbonyl)pyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.