Ethyl 8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
TL;DR: Ethyl 8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate (CAS 7800-91-1) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 8-methyl-4-oxo-1H-quinoline-3-carboxylate
Also Known As: ethyl 4-hydroxy-8-methylquinoline-3-carboxylate, ethyl 8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate, ethyl 8-methyl-4-oxo-1H-quinoline-3-carboxylate, Ethyl 4-hydroxy-8-methyl-3-quinolinecarboxylate, ethylhydroxymethylquinolinecarboxylate
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 7800-91-1 |
|---|---|
| SMILES | CCOC(=O)C1=CNC2=C(C=CC=C2C1=O)C |
| InChIKey | HYUYDOCMASKUMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate (CAS 7800-91-1), with molecular formula C13H13NO3 and molecular weight 231.09 g/mol. IUPAC: ethyl 8-methyl-4-oxo-1H-quinoline-3-carboxylate.
Chemical Property Profile of Ethyl 8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
Property Insights of Ethyl 8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate 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
Frequently Asked Questions
What is the CAS number of Ethyl 8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate?
The CAS number of Ethyl 8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate is 7800-91-1.
What is the molecular formula of Ethyl 8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate?
The molecular formula of Ethyl 8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate is C13H13NO3.
What is the molecular weight of Ethyl 8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate?
The molecular weight of Ethyl 8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate is 231.09 g/mol.
Where can I buy Ethyl 8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate?
You can request a quote for Ethyl 8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.