Ethyl quinoline-3-carboxylate
TL;DR: Ethyl quinoline-3-carboxylate (CAS 5111-73-9) 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-3-carboxylate
Also Known As: ethyl quinoline-3-carboxylate, Quinoline-3-carboxylic acid ethyl ester, Ethyl 3-quinolinecarboxylate, ethyl-3-quinolinate, Ethylquinoline-3-carboxylate
| Molecular Formula | C12H11NO2 |
|---|---|
| Molecular Weight | 201.08 g/mol |
| LogP | 2.6 |
| 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 | 5111-73-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=CC=CC=C2N=C1 |
| InChIKey | OTTDACPMYLDVTL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl quinoline-3-carboxylate (CAS 5111-73-9), with molecular formula C12H11NO2 and molecular weight 201.08 g/mol. IUPAC: ethyl quinoline-3-carboxylate.
Chemical Property Profile of Ethyl quinoline-3-carboxylate
Property Insights of Ethyl quinoline-3-carboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl quinoline-3-carboxylate. With a topological polar surface area (TPSA) of 39.2 Ų, Ethyl quinoline-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl quinoline-3-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-3-carboxylate?
The CAS number of Ethyl quinoline-3-carboxylate is 5111-73-9.
What is the molecular formula of Ethyl quinoline-3-carboxylate?
The molecular formula of Ethyl quinoline-3-carboxylate is C12H11NO2.
What is the molecular weight of Ethyl quinoline-3-carboxylate?
The molecular weight of Ethyl quinoline-3-carboxylate is 201.08 g/mol.
Where can I buy Ethyl quinoline-3-carboxylate?
You can request a quote for Ethyl quinoline-3-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-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl quinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.