Methyl 5-chloro-4-oxo-1,4-dihydroquinoline-2-carboxylate
TL;DR: Methyl 5-chloro-4-oxo-1,4-dihydroquinoline-2-carboxylate (CAS 20933-56-6) is a chemical compound with molecular formula C11H8ClNO3 and molecular weight 237.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-chloro-4-oxo-1H-quinoline-2-carboxylate
Also Known As: methyl 5-chloro-4-oxo-1,4-dihydroquinoline-2-carboxylate, methyl 5-chloro-4-oxo-1H-quinoline-2-carboxylate, methyl 5-chloro-4-hydroxy-2-quinolinecarboxylate, methyl 5-chloro-4-hydroxy-2-quinoline-carboxylate, 5-chloro-4-oxo-1,4-dihydro-quinoline-2-carboxylic acid methyl ester
| Molecular Formula | C11H8ClNO3 |
|---|---|
| Molecular Weight | 237.02 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.01927 |
| Heavy Atoms | 16 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 20933-56-6 |
|---|---|
| SMILES | COC(=O)C1=CC(=O)C2=C(N1)C=CC=C2Cl |
| InChIKey | YCBPWHOTGXARLC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 5-chloro-4-oxo-1,4-dihydroquinoline-2-carboxylate (CAS 20933-56-6), with molecular formula C11H8ClNO3 and molecular weight 237.02 g/mol. IUPAC: methyl 5-chloro-4-oxo-1H-quinoline-2-carboxylate.
Chemical Property Profile of Methyl 5-chloro-4-oxo-1,4-dihydroquinoline-2-carboxylate
Property Insights of Methyl 5-chloro-4-oxo-1,4-dihydroquinoline-2-carboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-chloro-4-oxo-1,4-dihydroquinoline-2-carboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 5-chloro-4-oxo-1,4-dihydroquinoline-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-chloro-4-oxo-1,4-dihydroquinoline-2-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 Methyl 5-chloro-4-oxo-1,4-dihydroquinoline-2-carboxylate?
The CAS number of Methyl 5-chloro-4-oxo-1,4-dihydroquinoline-2-carboxylate is 20933-56-6.
What is the molecular formula of Methyl 5-chloro-4-oxo-1,4-dihydroquinoline-2-carboxylate?
The molecular formula of Methyl 5-chloro-4-oxo-1,4-dihydroquinoline-2-carboxylate is C11H8ClNO3.
What is the molecular weight of Methyl 5-chloro-4-oxo-1,4-dihydroquinoline-2-carboxylate?
The molecular weight of Methyl 5-chloro-4-oxo-1,4-dihydroquinoline-2-carboxylate is 237.02 g/mol.
Where can I buy Methyl 5-chloro-4-oxo-1,4-dihydroquinoline-2-carboxylate?
You can request a quote for Methyl 5-chloro-4-oxo-1,4-dihydroquinoline-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-chloro-4-oxo-1,4-dihydroquinoline-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-chloro-4-oxo-1,4-dihydroquinoline-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.