N-(beta-Acetoxyethyl)pyridinium
TL;DR: N-(beta-Acetoxyethyl)pyridinium (CAS 5435-79-0) 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.
2-pyridin-1-ium-1-ylethyl acetate
Also Known As: PYACH, 1-(2-acetoxyethyl)pyridinium, N-(beta-Acetoxyethyl)pyridinium, 2-pyridin-1-ium-1-ylethyl acetate, Pyridinium, 1-(2-(acetyloxy)ethyl)-
| Molecular Formula | C9H12NO2+ |
|---|---|
| Molecular Weight | 166.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 166.0868 |
| Heavy Atoms | 12 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 5435-79-0 |
|---|---|
| SMILES | CC(=O)OCC[N+]1=CC=CC=C1 |
| InChIKey | LAWNEQSYVWOOLN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(beta-Acetoxyethyl)pyridinium (CAS 5435-79-0), with molecular formula C9H12NO2+ and molecular weight 166.09 g/mol. IUPAC: 2-pyridin-1-ium-1-ylethyl acetate.
Chemical Property Profile of N-(beta-Acetoxyethyl)pyridinium
Property Insights of N-(beta-Acetoxyethyl)pyridinium
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(beta-Acetoxyethyl)pyridinium. With a topological polar surface area (TPSA) of 30.2 Ų, N-(beta-Acetoxyethyl)pyridinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(beta-Acetoxyethyl)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 N-(beta-Acetoxyethyl)pyridinium?
The CAS number of N-(beta-Acetoxyethyl)pyridinium is 5435-79-0.
What is the molecular formula of N-(beta-Acetoxyethyl)pyridinium?
The molecular formula of N-(beta-Acetoxyethyl)pyridinium is C9H12NO2+.
What is the molecular weight of N-(beta-Acetoxyethyl)pyridinium?
The molecular weight of N-(beta-Acetoxyethyl)pyridinium is 166.09 g/mol.
Where can I buy N-(beta-Acetoxyethyl)pyridinium?
You can request a quote for N-(beta-Acetoxyethyl)pyridinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(beta-Acetoxyethyl)pyridinium?
Yes, KEHONG BIO provides custom synthesis services for N-(beta-Acetoxyethyl)pyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.