Ethyl 2-oxo-1,2-dihydroquinoline-3-carboxylate
TL;DR: Ethyl 2-oxo-1,2-dihydroquinoline-3-carboxylate (CAS 85870-47-9) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-oxo-1H-quinoline-3-carboxylate
Also Known As: Ethyl 2-oxo-1,2-dihydroquinoline-3-carboxylate, ethyl 2-oxo-1H-quinoline-3-carboxylate, ETHYL 2-OXO-1,2-DIHYDRO-QUINOLINE-3-CARBOXYLATE, Ethyl 2-hydroxyquinoline-3-carboxylate, ethyl 2-oxoquinoline-3-carboxylate
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 85870-47-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=CC=CC=C2NC1=O |
| InChIKey | POZIHPKRJFLANV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-oxo-1,2-dihydroquinoline-3-carboxylate (CAS 85870-47-9), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: ethyl 2-oxo-1H-quinoline-3-carboxylate.
Chemical Property Profile of Ethyl 2-oxo-1,2-dihydroquinoline-3-carboxylate
Property Insights of Ethyl 2-oxo-1,2-dihydroquinoline-3-carboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-oxo-1,2-dihydroquinoline-3-carboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 2-oxo-1,2-dihydroquinoline-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-oxo-1,2-dihydroquinoline-3-carboxylate has 1 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-oxo-1,2-dihydroquinoline-3-carboxylate?
The CAS number of Ethyl 2-oxo-1,2-dihydroquinoline-3-carboxylate is 85870-47-9.
What is the molecular formula of Ethyl 2-oxo-1,2-dihydroquinoline-3-carboxylate?
The molecular formula of Ethyl 2-oxo-1,2-dihydroquinoline-3-carboxylate is C12H11NO3.
What is the molecular weight of Ethyl 2-oxo-1,2-dihydroquinoline-3-carboxylate?
The molecular weight of Ethyl 2-oxo-1,2-dihydroquinoline-3-carboxylate is 217.07 g/mol.
Where can I buy Ethyl 2-oxo-1,2-dihydroquinoline-3-carboxylate?
You can request a quote for Ethyl 2-oxo-1,2-dihydroquinoline-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 2-oxo-1,2-dihydroquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-oxo-1,2-dihydroquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.