3-Quinolinecarboxylic acid, 8-chloro-4-hydroxy-, ethyl ester
TL;DR: 3-Quinolinecarboxylic acid, 8-chloro-4-hydroxy-, ethyl ester (CAS 73987-37-8) is a chemical compound with molecular formula C12H10ClNO3 and molecular weight 251.03493 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 8-chloro-4-oxo-1H-quinoline-3-carboxylate
Also Known As: ethyl 8-chloro-4-hydroxyquinoline-3-carboxylate, 8-Chloro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester, ethyl 8-chloro-4-oxo-1H-quinoline-3-carboxylate, Ethyl 8-chloro-4-hydroxy-3-quinolinecarboxylate, 4-(4-methylthiophenyl)benzaldehyde
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H10ClNO3 |
| Molecular Weight | 251.03493 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.03493 Da |
| Heavy Atoms | 17 |
| Complexity | 367.0 |
| SMILES | CCOC(=O)C1=CNC2=C(C1=O)C=CC=C2Cl |
| InChIKey | CVTZGJPEFPRNNB-UHFFFAOYSA-N |
Chemical Property Profile of 3-Quinolinecarboxylic acid, 8-chloro-4-hydroxy-, ethyl ester
Property Insights of 3-Quinolinecarboxylic acid, 8-chloro-4-hydroxy-, ethyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Quinolinecarboxylic acid, 8-chloro-4-hydroxy-, ethyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, 3-Quinolinecarboxylic acid, 8-chloro-4-hydroxy-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Quinolinecarboxylic acid, 8-chloro-4-hydroxy-, ethyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Quinolinecarboxylic acid, 8-chloro-4-hydroxy-, ethyl ester?
The CAS number of 3-Quinolinecarboxylic acid, 8-chloro-4-hydroxy-, ethyl ester is 73987-37-8.
What is the molecular formula of 3-Quinolinecarboxylic acid, 8-chloro-4-hydroxy-, ethyl ester?
The molecular formula of 3-Quinolinecarboxylic acid, 8-chloro-4-hydroxy-, ethyl ester is C12H10ClNO3.
What is the molecular weight of 3-Quinolinecarboxylic acid, 8-chloro-4-hydroxy-, ethyl ester?
The molecular weight of 3-Quinolinecarboxylic acid, 8-chloro-4-hydroxy-, ethyl ester is 251.03493 g/mol.
Where can I buy 3-Quinolinecarboxylic acid, 8-chloro-4-hydroxy-, ethyl ester?
You can request a quote for 3-Quinolinecarboxylic acid, 8-chloro-4-hydroxy-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Quinolinecarboxylic acid, 8-chloro-4-hydroxy-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for 3-Quinolinecarboxylic acid, 8-chloro-4-hydroxy-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.