3-Carboxylato-1-(2-hydroxyethyl)pyridinium
TL;DR: 3-Carboxylato-1-(2-hydroxyethyl)pyridinium (CAS 52578-48-0) is a chemical compound with molecular formula C8H9NO3 and molecular weight 167.05824 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-hydroxyethyl)pyridin-1-ium-3-carboxylate
Also Known As: pyridinebetaine A, 3-Carboxylato-1-(2-hydroxyethyl)pyridinium, 1-(2-hydroxyethyl)pyridin-1-ium-3-carboxylate, 1-(2-hydroxyethyl)pyridinium-3-carboxylate, KST-1B4988
Technical Specifications
| Molecular Formula | C8H9NO3 |
| Molecular Weight | 167.05824 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 64.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.05824 Da |
| Heavy Atoms | 12 |
| Complexity | 155.0 |
| SMILES | C1=CC(=C[N+](=C1)CCO)C(=O)[O-] |
| InChIKey | NMLHUTLOFSMVHP-UHFFFAOYSA-N |
Chemical Property Profile of 3-Carboxylato-1-(2-hydroxyethyl)pyridinium
Property Insights of 3-Carboxylato-1-(2-hydroxyethyl)pyridinium
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Carboxylato-1-(2-hydroxyethyl)pyridinium. The TPSA of 64.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Carboxylato-1-(2-hydroxyethyl)pyridinium. Following Lipinski's Rule of Five, 3-Carboxylato-1-(2-hydroxyethyl)pyridinium has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Carboxylato-1-(2-hydroxyethyl)pyridinium?
The CAS number of 3-Carboxylato-1-(2-hydroxyethyl)pyridinium is 52578-48-0.
What is the molecular formula of 3-Carboxylato-1-(2-hydroxyethyl)pyridinium?
The molecular formula of 3-Carboxylato-1-(2-hydroxyethyl)pyridinium is C8H9NO3.
What is the molecular weight of 3-Carboxylato-1-(2-hydroxyethyl)pyridinium?
The molecular weight of 3-Carboxylato-1-(2-hydroxyethyl)pyridinium is 167.05824 g/mol.
Where can I buy 3-Carboxylato-1-(2-hydroxyethyl)pyridinium?
You can request a quote for 3-Carboxylato-1-(2-hydroxyethyl)pyridinium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Carboxylato-1-(2-hydroxyethyl)pyridinium?
Yes, CoreyChem provides custom synthesis services for 3-Carboxylato-1-(2-hydroxyethyl)pyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.