Ethyl 6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
TL;DR: Ethyl 6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate (CAS 111760-35-1) is a chemical compound with molecular formula C12H9F2NO3 and molecular weight 253.05505 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 6,7-difluoro-4-oxo-1H-quinoline-3-carboxylate
Also Known As: ethyl 6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate, 2-(2-Pyridyl)piperazine, ethyl 6,7-difluoro-4-oxo-1H-quinoline-3-carboxylate, BAS 00667573, 3-Quinolinecarboxylic acid, 6,7-difluoro-4-hydroxy-, ethyl ester
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H9F2NO3 |
| Molecular Weight | 253.05505 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.05505 Da |
| Heavy Atoms | 18 |
| Complexity | 397.0 |
| SMILES | CCOC(=O)C1=CNC2=CC(=C(C=C2C1=O)F)F |
| InChIKey | PVQWGRDZOWBHIC-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
Property Insights of Ethyl 6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate?
The CAS number of Ethyl 6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate is 111760-35-1.
What is the molecular formula of Ethyl 6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate?
The molecular formula of Ethyl 6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate is C12H9F2NO3.
What is the molecular weight of Ethyl 6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate?
The molecular weight of Ethyl 6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate is 253.05505 g/mol.
Where can I buy Ethyl 6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate?
You can request a quote for Ethyl 6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.