2-吡啶鎓-1-基乙酸乙酯
TL;DR: 2-吡啶鎓-1-基乙酸乙酯 (CAS 27922-21-0) 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-吡啶鎓-1-基乙酸乙酯
ethyl 2-pyridin-1-ium-1-ylacetate
Also Known As: 1-(2-ethoxy-2-oxoethyl)pyridinium, 1-Ethoxycarbonylmethylpyridinium, 1-(Ethoxycarbonylmethyl)pyridinium, KST-1B2621, (Carbethoxymethyl)pyridinium bromide
| Molecular Formula | C9H12NO2+ |
|---|---|
| Molecular Weight | 166.09 g/mol |
| LogP | 1.4 |
| 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 | 27922-21-0 |
|---|---|
| SMILES | CCOC(=O)C[N+]1=CC=CC=C1 |
| InChIKey | YVYHSLJKEUXGQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-吡啶鎓-1-基乙酸乙酯 (CAS 27922-21-0), with molecular formula C9H12NO2+ and molecular weight 166.09 g/mol. IUPAC: ethyl 2-pyridin-1-ium-1-ylacetate.
Chemical Property Profile of 2-吡啶鎓-1-基乙酸乙酯
Property Insights of 2-吡啶鎓-1-基乙酸乙酯
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-吡啶鎓-1-基乙酸乙酯. With a topological polar surface area (TPSA) of 30.2 Ų, 2-吡啶鎓-1-基乙酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-吡啶鎓-1-基乙酸乙酯 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 2-吡啶鎓-1-基乙酸乙酯?
The CAS number of 2-吡啶鎓-1-基乙酸乙酯 is 27922-21-0.
What is the molecular formula of 2-吡啶鎓-1-基乙酸乙酯?
The molecular formula of 2-吡啶鎓-1-基乙酸乙酯 is C9H12NO2+.
What is the molecular weight of 2-吡啶鎓-1-基乙酸乙酯?
The molecular weight of 2-吡啶鎓-1-基乙酸乙酯 is 166.09 g/mol.
Where can I buy 2-吡啶鎓-1-基乙酸乙酯?
You can request a quote for 2-吡啶鎓-1-基乙酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-吡啶鎓-1-基乙酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 2-吡啶鎓-1-基乙酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.