(1-Oxidopyridin-1-ium-3-yl)methyl acetate
TL;DR: (1-Oxidopyridin-1-ium-3-yl)methyl acetate (CAS 114951-34-7) 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-oxidopyridin-1-ium-3-yl)methyl acetate
Also Known As: 3-Acetoxymethylpyridine N-oxide, (1-oxidopyridin-1-ium-3-yl)methyl acetate, (1-oxidopyridin-3-yl)methyl acetate, ACETIC ACID 1-OXY-PYRIDIN-3-YLMETHYL ESTER, 3-[(ACETYLOXY)METHYL]PYRIDIN-1-IUM-1-OLATE
Technical Specifications
| Molecular Formula | C8H9NO3 |
| Molecular Weight | 167.05824 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 167.05824 Da |
| Heavy Atoms | 12 |
| Complexity | 160.0 |
| SMILES | CC(=O)OCC1=C[N+](=CC=C1)[O-] |
| InChIKey | FTHVEGMSKZHCRL-UHFFFAOYSA-N |
Chemical Property Profile of (1-Oxidopyridin-1-ium-3-yl)methyl acetate
Property Insights of (1-Oxidopyridin-1-ium-3-yl)methyl acetate
The XLogP value of -0.5 indicates that (1-Oxidopyridin-1-ium-3-yl)methyl acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.8 Ų, (1-Oxidopyridin-1-ium-3-yl)methyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Oxidopyridin-1-ium-3-yl)methyl acetate has 0 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 (1-Oxidopyridin-1-ium-3-yl)methyl acetate?
The CAS number of (1-Oxidopyridin-1-ium-3-yl)methyl acetate is 114951-34-7.
What is the molecular formula of (1-Oxidopyridin-1-ium-3-yl)methyl acetate?
The molecular formula of (1-Oxidopyridin-1-ium-3-yl)methyl acetate is C8H9NO3.
What is the molecular weight of (1-Oxidopyridin-1-ium-3-yl)methyl acetate?
The molecular weight of (1-Oxidopyridin-1-ium-3-yl)methyl acetate is 167.05824 g/mol.
Where can I buy (1-Oxidopyridin-1-ium-3-yl)methyl acetate?
You can request a quote for (1-Oxidopyridin-1-ium-3-yl)methyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1-Oxidopyridin-1-ium-3-yl)methyl acetate?
Yes, CoreyChem provides custom synthesis services for (1-Oxidopyridin-1-ium-3-yl)methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.