Ethyl 2-pyridylacetate
TL;DR: Ethyl 2-pyridylacetate (CAS 2739-98-2) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-pyridin-2-ylacetate
Also Known As: Ethyl 2-pyridylacetate, ethyl 2-(pyridin-2-yl)acetate, Ethyl pyridine-2-acetate, ethyl 2-pyridin-2-ylacetate, Ethyl2-pyridylacetate
| Molecular Formula | C9H11NO2 |
|---|---|
| Molecular Weight | 165.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 165.07898 |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 2739-98-2 |
|---|---|
| SMILES | CCOC(=O)CC1=CC=CC=N1 |
| InChIKey | IUDKTVXSXWAKJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-pyridylacetate (CAS 2739-98-2), with molecular formula C9H11NO2 and molecular weight 165.08 g/mol. IUPAC: ethyl 2-pyridin-2-ylacetate.
Chemical Property Profile of Ethyl 2-pyridylacetate
Property Insights of Ethyl 2-pyridylacetate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-pyridylacetate. With a topological polar surface area (TPSA) of 39.2 Ų, Ethyl 2-pyridylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-pyridylacetate 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
Frequently Asked Questions
What is the CAS number of Ethyl 2-pyridylacetate?
The CAS number of Ethyl 2-pyridylacetate is 2739-98-2.
What is the molecular formula of Ethyl 2-pyridylacetate?
The molecular formula of Ethyl 2-pyridylacetate is C9H11NO2.
What is the molecular weight of Ethyl 2-pyridylacetate?
The molecular weight of Ethyl 2-pyridylacetate is 165.08 g/mol.
Where can I buy Ethyl 2-pyridylacetate?
You can request a quote for Ethyl 2-pyridylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-pyridylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-pyridylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.