![Methyl 6-methylthio-4[1H]quinolon-2-carboxylate structure](/static/products/208/20843-54-3.png)
Methyl 6-methylthio-4[1H]quinolon-2-carboxylate
TL;DR: Methyl 6-methylthio-4[1H]quinolon-2-carboxylate (CAS 20843-54-3) is a chemical compound with molecular formula C12H11NO3S and molecular weight 249.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-methylsulfanyl-4-oxo-1H-quinoline-2-carboxylate
Also Known As: 6-methylthio-4-hydroxy-2-methoxycarbonylquinoline, Methyl 6-methylthio-4[1H]quinolon-2-carboxylate, methyl 6-methylsulfanyl-4-oxo-1H-quinoline-2-carboxylate, methyl 6-methylthio-4-oxo-1,4-dihydroquinoline-2-carboxylate, Methyl 6-(methylsulfanyl)-4-oxo-1,4-dihydro-2-quinolinecarboxylate #
| Molecular Formula | C12H11NO3S |
|---|---|
| Molecular Weight | 249.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.04596 |
| Heavy Atoms | 17 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 20843-54-3 |
|---|---|
| SMILES | COC(=O)C1=CC(=O)C2=C(N1)C=CC(=C2)SC |
| InChIKey | KHCUWUWAQWZEIG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 6-methylthio-4[1H]quinolon-2-carboxylate (CAS 20843-54-3), with molecular formula C12H11NO3S and molecular weight 249.05 g/mol. IUPAC: methyl 6-methylsulfanyl-4-oxo-1H-quinoline-2-carboxylate.
Chemical Property Profile of Methyl 6-methylthio-4[1H]quinolon-2-carboxylate
Property Insights of Methyl 6-methylthio-4[1H]quinolon-2-carboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-methylthio-4[1H]quinolon-2-carboxylate. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 6-methylthio-4[1H]quinolon-2-carboxylate. Following Lipinski's Rule of Five, Methyl 6-methylthio-4[1H]quinolon-2-carboxylate has 1 hydrogen bond donor(s) and 5 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 6-methylthio-4[1H]quinolon-2-carboxylate?
The CAS number of Methyl 6-methylthio-4[1H]quinolon-2-carboxylate is 20843-54-3.
What is the molecular formula of Methyl 6-methylthio-4[1H]quinolon-2-carboxylate?
The molecular formula of Methyl 6-methylthio-4[1H]quinolon-2-carboxylate is C12H11NO3S.
What is the molecular weight of Methyl 6-methylthio-4[1H]quinolon-2-carboxylate?
The molecular weight of Methyl 6-methylthio-4[1H]quinolon-2-carboxylate is 249.05 g/mol.
Where can I buy Methyl 6-methylthio-4[1H]quinolon-2-carboxylate?
You can request a quote for Methyl 6-methylthio-4[1H]quinolon-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 6-methylthio-4[1H]quinolon-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-methylthio-4[1H]quinolon-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.