Methyl 4-methoxyquinoline-2-carboxylate
TL;DR: Methyl 4-methoxyquinoline-2-carboxylate (CAS 67976-94-7) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-methoxyquinoline-2-carboxylate
Also Known As: methyl 4-methoxyquinoline-2-carboxylate, Kynurenic acid, methyl ether, methyl ester, Methyl 4-methoxyquinoline-2-carboxylate #, 4-methoxy quinoline-2-carboxylic acid methyl ester, Quinolin-2-carboxylic acid, 4-methoxy, methyl ester
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 48.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 67976-94-7 |
|---|---|
| SMILES | COC1=CC(=NC2=CC=CC=C21)C(=O)OC |
| InChIKey | BTVCFPOAOCFSJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-methoxyquinoline-2-carboxylate (CAS 67976-94-7), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: methyl 4-methoxyquinoline-2-carboxylate.
Chemical Property Profile of Methyl 4-methoxyquinoline-2-carboxylate
Property Insights of Methyl 4-methoxyquinoline-2-carboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-methoxyquinoline-2-carboxylate. With a topological polar surface area (TPSA) of 48.4 Ų, Methyl 4-methoxyquinoline-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-methoxyquinoline-2-carboxylate has 0 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 4-methoxyquinoline-2-carboxylate?
The CAS number of Methyl 4-methoxyquinoline-2-carboxylate is 67976-94-7.
What is the molecular formula of Methyl 4-methoxyquinoline-2-carboxylate?
The molecular formula of Methyl 4-methoxyquinoline-2-carboxylate is C12H11NO3.
What is the molecular weight of Methyl 4-methoxyquinoline-2-carboxylate?
The molecular weight of Methyl 4-methoxyquinoline-2-carboxylate is 217.07 g/mol.
Where can I buy Methyl 4-methoxyquinoline-2-carboxylate?
You can request a quote for Methyl 4-methoxyquinoline-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 4-methoxyquinoline-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-methoxyquinoline-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.