3-Quinolinecarboxylic acid, 4-hydroxy-8-(trifluoromethyl)-, ethyl ester
TL;DR: 3-Quinolinecarboxylic acid, 4-hydroxy-8-(trifluoromethyl)-, ethyl ester (CAS 23851-84-5) is a chemical compound with molecular formula C13H10F3NO3 and molecular weight 285.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-oxo-8-(trifluoromethyl)-1H-quinoline-2-carboxylate
Also Known As: ethyl 4-oxo-8-(trifluoromethyl)-1,4-dihydroquinoline-2-carboxylate, Ethyl 4-hydroxy-8-(trifluoromethyl)-3-quinolinecarboxylate, Ethyl 4-hydroxy-8-(trifluoromethyl)quinoline-2-carboxylate, Ethyl 4-hydroxy-8-(trifluoromethyl)quinoline-3-carboxylate, 3-Quinolinecarboxylic acid, 4-hydroxy-8-(trifluoromethyl)-, ethyl ester
| Molecular Formula | C13H10F3NO3 |
|---|---|
| Molecular Weight | 285.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.06128 |
| Heavy Atoms | 20 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 23851-84-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=O)C2=C(N1)C(=CC=C2)C(F)(F)F |
| InChIKey | POYCJJNDSYSSLI-UHFFFAOYSA-N |
Product Overview
3-Quinolinecarboxylic acid, 4-hydroxy-8-(trifluoromethyl)-, ethyl ester (CAS 23851-84-5), with molecular formula C13H10F3NO3 and molecular weight 285.06 g/mol. IUPAC: ethyl 4-oxo-8-(trifluoromethyl)-1H-quinoline-2-carboxylate.
Chemical Property Profile of 3-Quinolinecarboxylic acid, 4-hydroxy-8-(trifluoromethyl)-, ethyl ester
Property Insights of 3-Quinolinecarboxylic acid, 4-hydroxy-8-(trifluoromethyl)-, ethyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Quinolinecarboxylic acid, 4-hydroxy-8-(trifluoromethyl)-, ethyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, 3-Quinolinecarboxylic acid, 4-hydroxy-8-(trifluoromethyl)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Quinolinecarboxylic acid, 4-hydroxy-8-(trifluoromethyl)-, ethyl ester has 1 hydrogen bond donor(s) and 7 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 3-Quinolinecarboxylic acid, 4-hydroxy-8-(trifluoromethyl)-, ethyl ester?
The CAS number of 3-Quinolinecarboxylic acid, 4-hydroxy-8-(trifluoromethyl)-, ethyl ester is 23851-84-5.
What is the molecular formula of 3-Quinolinecarboxylic acid, 4-hydroxy-8-(trifluoromethyl)-, ethyl ester?
The molecular formula of 3-Quinolinecarboxylic acid, 4-hydroxy-8-(trifluoromethyl)-, ethyl ester is C13H10F3NO3.
What is the molecular weight of 3-Quinolinecarboxylic acid, 4-hydroxy-8-(trifluoromethyl)-, ethyl ester?
The molecular weight of 3-Quinolinecarboxylic acid, 4-hydroxy-8-(trifluoromethyl)-, ethyl ester is 285.06 g/mol.
Where can I buy 3-Quinolinecarboxylic acid, 4-hydroxy-8-(trifluoromethyl)-, ethyl ester?
You can request a quote for 3-Quinolinecarboxylic acid, 4-hydroxy-8-(trifluoromethyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Quinolinecarboxylic acid, 4-hydroxy-8-(trifluoromethyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Quinolinecarboxylic acid, 4-hydroxy-8-(trifluoromethyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.