Pyridinium, 4-(ethoxycarbonyl)-1-methyl-
TL;DR: Pyridinium, 4-(ethoxycarbonyl)-1-methyl- (CAS 46052-17-9) 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.
ethyl 1-methylpyridin-1-ium-4-carboxylate
Also Known As: Pyridinium, 4-(ethoxycarbonyl)-1-methyl-, 4-ethoxycarbonyl-1-methyl-pyridinium, 1-Methyl-4-(ethoxycarbonyl)pyridinium, 4-(Ethoxycarbonyl)-1-methylpyridinium, ethyl 1-methylpyridin-1-ium-4-carboxylate
| Molecular Formula | C9H12NO2+ |
|---|---|
| Molecular Weight | 166.09 g/mol |
| LogP | 1.6 |
| 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 | 46052-17-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=[N+](C=C1)C |
| InChIKey | RQVSRLSCWUJZKO-UHFFFAOYSA-N |
Product Overview
Pyridinium, 4-(ethoxycarbonyl)-1-methyl- (CAS 46052-17-9), with molecular formula C9H12NO2+ and molecular weight 166.09 g/mol. IUPAC: ethyl 1-methylpyridin-1-ium-4-carboxylate.
Chemical Property Profile of Pyridinium, 4-(ethoxycarbonyl)-1-methyl-
Property Insights of Pyridinium, 4-(ethoxycarbonyl)-1-methyl-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridinium, 4-(ethoxycarbonyl)-1-methyl-. With a topological polar surface area (TPSA) of 30.2 Ų, Pyridinium, 4-(ethoxycarbonyl)-1-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridinium, 4-(ethoxycarbonyl)-1-methyl- 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 Pyridinium, 4-(ethoxycarbonyl)-1-methyl-?
The CAS number of Pyridinium, 4-(ethoxycarbonyl)-1-methyl- is 46052-17-9.
What is the molecular formula of Pyridinium, 4-(ethoxycarbonyl)-1-methyl-?
The molecular formula of Pyridinium, 4-(ethoxycarbonyl)-1-methyl- is C9H12NO2+.
What is the molecular weight of Pyridinium, 4-(ethoxycarbonyl)-1-methyl-?
The molecular weight of Pyridinium, 4-(ethoxycarbonyl)-1-methyl- is 166.09 g/mol.
Where can I buy Pyridinium, 4-(ethoxycarbonyl)-1-methyl-?
You can request a quote for Pyridinium, 4-(ethoxycarbonyl)-1-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridinium, 4-(ethoxycarbonyl)-1-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 4-(ethoxycarbonyl)-1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.