Ethyl 1-methyl-4-oxo-1,4-dihydro-3-quinolinecarboxylate
TL;DR: Ethyl 1-methyl-4-oxo-1,4-dihydro-3-quinolinecarboxylate (CAS 23789-85-7) 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 1-methyl-4-oxoquinoline-3-carboxylate
Also Known As: ethyl 1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate, ethyl 1-methyl-4-oxoquinoline-3-carboxylate, ASN 05891522, ethyl N-methyl-4-quinolone-3-carboxylate, ethyl 1-methyl-4-oxo-quinoline-3-carboxylate
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 1.7152 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 628.08746 |
Chemical Identifiers
| CAS Number | 23789-85-7 |
|---|---|
| SMILES | CCOC(=O)C1=CN(C2=CC=CC=C2C1=O)C |
Product Overview
Ethyl 1-methyl-4-oxo-1,4-dihydro-3-quinolinecarboxylate (CAS 23789-85-7), with molecular formula C13H13NO3 and molecular weight 231.09 g/mol. IUPAC: ethyl 1-methyl-4-oxoquinoline-3-carboxylate.
Chemical Property Profile of Ethyl 1-methyl-4-oxo-1,4-dihydro-3-quinolinecarboxylate
Property Insights of Ethyl 1-methyl-4-oxo-1,4-dihydro-3-quinolinecarboxylate
The XLogP value of 1.7152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-methyl-4-oxo-1,4-dihydro-3-quinolinecarboxylate. With a topological polar surface area (TPSA) of 48.3 Ų, Ethyl 1-methyl-4-oxo-1,4-dihydro-3-quinolinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-methyl-4-oxo-1,4-dihydro-3-quinolinecarboxylate 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 Ethyl 1-methyl-4-oxo-1,4-dihydro-3-quinolinecarboxylate?
The CAS number of Ethyl 1-methyl-4-oxo-1,4-dihydro-3-quinolinecarboxylate is 23789-85-7.
What is the molecular formula of Ethyl 1-methyl-4-oxo-1,4-dihydro-3-quinolinecarboxylate?
The molecular formula of Ethyl 1-methyl-4-oxo-1,4-dihydro-3-quinolinecarboxylate is C13H13NO3.
What is the molecular weight of Ethyl 1-methyl-4-oxo-1,4-dihydro-3-quinolinecarboxylate?
The molecular weight of Ethyl 1-methyl-4-oxo-1,4-dihydro-3-quinolinecarboxylate is 231.09 g/mol.
Where can I buy Ethyl 1-methyl-4-oxo-1,4-dihydro-3-quinolinecarboxylate?
You can request a quote for Ethyl 1-methyl-4-oxo-1,4-dihydro-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 1-methyl-4-oxo-1,4-dihydro-3-quinolinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-methyl-4-oxo-1,4-dihydro-3-quinolinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.