Ethyl 8-fluoro-4-hydroxy-5-methyl-3-quinolinecarboxylate
TL;DR: Ethyl 8-fluoro-4-hydroxy-5-methyl-3-quinolinecarboxylate (CAS 329698-70-6) is a chemical compound with molecular formula C13H12FNO3 and molecular weight 249.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 8-fluoro-5-methyl-4-oxo-1H-quinoline-3-carboxylate
Also Known As: ethyl 8-fluoro-4-hydroxy-5-methyl-3-quinolinecarboxylate, ethyl 8-fluoro-4-hydroxy-5-methylquinoline-3-carboxylate, ethyl 8-fluoro-5-methyl-4-oxo-1H-quinoline-3-carboxylate, ethyl8-fluoro-4-hydroxy-5-methylquinoline-3-carboxylate, ethyl 8-fluoro-5-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
| Molecular Formula | C13H12FNO3 |
|---|---|
| Molecular Weight | 249.08 g/mol |
| LogP | 2.15232 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.08012 |
| Heavy Atoms | 18 |
| Complexity | 675.7261 |
Chemical Identifiers
| CAS Number | 329698-70-6 |
|---|---|
| SMILES | CCOC(=O)C1=CNC2=C(C=CC(=C2C1=O)C)F |
Product Overview
Ethyl 8-fluoro-4-hydroxy-5-methyl-3-quinolinecarboxylate (CAS 329698-70-6), with molecular formula C13H12FNO3 and molecular weight 249.08 g/mol. IUPAC: ethyl 8-fluoro-5-methyl-4-oxo-1H-quinoline-3-carboxylate.
Chemical Property Profile of Ethyl 8-fluoro-4-hydroxy-5-methyl-3-quinolinecarboxylate
Property Insights of Ethyl 8-fluoro-4-hydroxy-5-methyl-3-quinolinecarboxylate
The XLogP value of 2.15232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 8-fluoro-4-hydroxy-5-methyl-3-quinolinecarboxylate. With a topological polar surface area (TPSA) of 59.16 Ų, Ethyl 8-fluoro-4-hydroxy-5-methyl-3-quinolinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 8-fluoro-4-hydroxy-5-methyl-3-quinolinecarboxylate 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 8-fluoro-4-hydroxy-5-methyl-3-quinolinecarboxylate?
The CAS number of Ethyl 8-fluoro-4-hydroxy-5-methyl-3-quinolinecarboxylate is 329698-70-6.
What is the molecular formula of Ethyl 8-fluoro-4-hydroxy-5-methyl-3-quinolinecarboxylate?
The molecular formula of Ethyl 8-fluoro-4-hydroxy-5-methyl-3-quinolinecarboxylate is C13H12FNO3.
What is the molecular weight of Ethyl 8-fluoro-4-hydroxy-5-methyl-3-quinolinecarboxylate?
The molecular weight of Ethyl 8-fluoro-4-hydroxy-5-methyl-3-quinolinecarboxylate is 249.08 g/mol.
Where can I buy Ethyl 8-fluoro-4-hydroxy-5-methyl-3-quinolinecarboxylate?
You can request a quote for Ethyl 8-fluoro-4-hydroxy-5-methyl-3-quinolinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 8-fluoro-4-hydroxy-5-methyl-3-quinolinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 8-fluoro-4-hydroxy-5-methyl-3-quinolinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.