Methyl 2-phenyl-4-quinolinecarboxylate
TL;DR: Methyl 2-phenyl-4-quinolinecarboxylate (CAS 4546-48-9) is a chemical compound with molecular formula C17H13NO2 and molecular weight 263.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-phenylquinoline-4-carboxylate
Also Known As: methyl 2-phenylquinoline-4-carboxylate, Methyl 2-phenyl-4-quinolinecarboxylate, Cinchophen methyl derivative, methyl2-phenylquinoline-4-carboxylate, 2-Phenyl-quinoline-4-carboxylic acid methyl ester
| Molecular Formula | C17H13NO2 |
|---|---|
| Molecular Weight | 263.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.09464 |
| Heavy Atoms | 20 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 4546-48-9 |
|---|---|
| SMILES | COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3 |
| InChIKey | FDNMMBMNYRTPLC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-phenyl-4-quinolinecarboxylate (CAS 4546-48-9), with molecular formula C17H13NO2 and molecular weight 263.09 g/mol. IUPAC: methyl 2-phenylquinoline-4-carboxylate.
Chemical Property Profile of Methyl 2-phenyl-4-quinolinecarboxylate
Property Insights of Methyl 2-phenyl-4-quinolinecarboxylate
The XLogP value of 3.7 indicates that Methyl 2-phenyl-4-quinolinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, Methyl 2-phenyl-4-quinolinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-phenyl-4-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 Methyl 2-phenyl-4-quinolinecarboxylate?
The CAS number of Methyl 2-phenyl-4-quinolinecarboxylate is 4546-48-9.
What is the molecular formula of Methyl 2-phenyl-4-quinolinecarboxylate?
The molecular formula of Methyl 2-phenyl-4-quinolinecarboxylate is C17H13NO2.
What is the molecular weight of Methyl 2-phenyl-4-quinolinecarboxylate?
The molecular weight of Methyl 2-phenyl-4-quinolinecarboxylate is 263.09 g/mol.
Where can I buy Methyl 2-phenyl-4-quinolinecarboxylate?
You can request a quote for Methyl 2-phenyl-4-quinolinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-phenyl-4-quinolinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-phenyl-4-quinolinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.