2-(3-Hydroxypyridin-1-ium-1-yl)butanoic acid
TL;DR: 2-(3-Hydroxypyridin-1-ium-1-yl)butanoic acid (CAS 139693-82-6) is a chemical compound with molecular formula C9H12NO3+ and molecular weight 182.08171 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-hydroxypyridin-1-ium-1-yl)butanoic acid
Also Known As: 2-(3-hydroxypyridin-1-ium-1-yl)butanoic acid, 2-(5-hydroxypyridin-1-yl)butanoic Acid, 1-(1-Carboxypropyl)-3-hydroxypyridin-1-ium, 3-Hydroxy-1-(1-carboxypropyl)pyridin-1-ium
Technical Specifications
| Molecular Formula | C9H12NO3+ |
| Molecular Weight | 182.08171 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 61.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.08171 Da |
| Heavy Atoms | 13 |
| Complexity | 184.0 |
| SMILES | CCC(C(=O)O)[N+]1=CC=CC(=C1)O |
| InChIKey | COKWHEHEXGECHT-UHFFFAOYSA-O |
Chemical Property Profile of 2-(3-Hydroxypyridin-1-ium-1-yl)butanoic acid
Property Insights of 2-(3-Hydroxypyridin-1-ium-1-yl)butanoic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Hydroxypyridin-1-ium-1-yl)butanoic acid. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Hydroxypyridin-1-ium-1-yl)butanoic acid. Following Lipinski's Rule of Five, 2-(3-Hydroxypyridin-1-ium-1-yl)butanoic acid has 2 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 2-(3-Hydroxypyridin-1-ium-1-yl)butanoic acid?
The CAS number of 2-(3-Hydroxypyridin-1-ium-1-yl)butanoic acid is 139693-82-6.
What is the molecular formula of 2-(3-Hydroxypyridin-1-ium-1-yl)butanoic acid?
The molecular formula of 2-(3-Hydroxypyridin-1-ium-1-yl)butanoic acid is C9H12NO3+.
What is the molecular weight of 2-(3-Hydroxypyridin-1-ium-1-yl)butanoic acid?
The molecular weight of 2-(3-Hydroxypyridin-1-ium-1-yl)butanoic acid is 182.08171 g/mol.
Where can I buy 2-(3-Hydroxypyridin-1-ium-1-yl)butanoic acid?
You can request a quote for 2-(3-Hydroxypyridin-1-ium-1-yl)butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3-Hydroxypyridin-1-ium-1-yl)butanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(3-Hydroxypyridin-1-ium-1-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.