Ethyl quinoline-2-carboxylate
TL;DR: Ethyl quinoline-2-carboxylate (CAS 4491-33-2) is a chemical compound with molecular formula C12H11NO2 and molecular weight 201.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl quinoline-2-carboxylate
Also Known As: ethyl quinoline-2-carboxylate, ethyl quinaldate, Ethyl 2-quinolinecarboxylate, 2-quinolinecarboxylic acid ethyl ester, ETHYLQUINOLINE-2-CARBOXYLATE
| Molecular Formula | C12H11NO2 |
|---|---|
| Molecular Weight | 201.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.07898 |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 4491-33-2 |
|---|---|
| SMILES | CCOC(=O)C1=NC2=CC=CC=C2C=C1 |
| InChIKey | PWOYTBYNBYNZCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl quinoline-2-carboxylate (CAS 4491-33-2), with molecular formula C12H11NO2 and molecular weight 201.08 g/mol. IUPAC: ethyl quinoline-2-carboxylate.
Chemical Property Profile of Ethyl quinoline-2-carboxylate
Property Insights of Ethyl quinoline-2-carboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl quinoline-2-carboxylate. With a topological polar surface area (TPSA) of 39.2 Ų, Ethyl quinoline-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl quinoline-2-carboxylate 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 quinoline-2-carboxylate?
The CAS number of Ethyl quinoline-2-carboxylate is 4491-33-2.
What is the molecular formula of Ethyl quinoline-2-carboxylate?
The molecular formula of Ethyl quinoline-2-carboxylate is C12H11NO2.
What is the molecular weight of Ethyl quinoline-2-carboxylate?
The molecular weight of Ethyl quinoline-2-carboxylate is 201.08 g/mol.
Where can I buy Ethyl quinoline-2-carboxylate?
You can request a quote for Ethyl quinoline-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl quinoline-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl quinoline-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.