7-Chloro-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate
TL;DR: 7-Chloro-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate (CAS 68077-26-9) is a chemical compound with molecular formula C12H8ClFNO3- and molecular weight 268.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate
Also Known As: 7-chloro-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate, AU-059/43519050, 7-chloro-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylate, 7-chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylate, 7-chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
| Molecular Formula | C12H8ClFNO3- |
|---|---|
| Molecular Weight | 268.02 g/mol |
| LogP | 1.1774 |
| Topological Polar Surface Area | 62.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.01767 |
| Heavy Atoms | 18 |
| Complexity | 708.51526 |
Chemical Identifiers
| CAS Number | 68077-26-9 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CC(=C(C=C21)Cl)F)C(=O)[O-] |
Product Overview
7-Chloro-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate (CAS 68077-26-9), with molecular formula C12H8ClFNO3- and molecular weight 268.02 g/mol. IUPAC: 7-chloro-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate.
Chemical Property Profile of 7-Chloro-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate
Property Insights of 7-Chloro-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate
The XLogP value of 1.1774 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Chloro-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate. The TPSA of 62.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Chloro-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate. Following Lipinski's Rule of Five, 7-Chloro-1-ethyl-6-fluoro-4-oxoquinoline-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 7-Chloro-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate?
The CAS number of 7-Chloro-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate is 68077-26-9.
What is the molecular formula of 7-Chloro-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate?
The molecular formula of 7-Chloro-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate is C12H8ClFNO3-.
What is the molecular weight of 7-Chloro-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate?
The molecular weight of 7-Chloro-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate is 268.02 g/mol.
Where can I buy 7-Chloro-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate?
You can request a quote for 7-Chloro-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Chloro-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.