Methyl 2-(3-quinolinyl)benzoate
TL;DR: Methyl 2-(3-quinolinyl)benzoate (CAS 104967-48-8) 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-quinolin-3-ylbenzoate
Also Known As: Methyl 2-(3-quinolinyl)benzoate, Methyl 2-quinolin-3-ylbenzoate
| Molecular Formula | C17H13NO2 |
|---|---|
| Molecular Weight | 263.09 g/mol |
| LogP | 3.6884 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.09464 |
| Heavy Atoms | 20 |
| Complexity | 780.5518 |
Chemical Identifiers
| CAS Number | 104967-48-8 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1C2=CC3=CC=CC=C3N=C2 |
Product Overview
Methyl 2-(3-quinolinyl)benzoate (CAS 104967-48-8), with molecular formula C17H13NO2 and molecular weight 263.09 g/mol. IUPAC: methyl 2-quinolin-3-ylbenzoate.
Chemical Property Profile of Methyl 2-(3-quinolinyl)benzoate
Property Insights of Methyl 2-(3-quinolinyl)benzoate
The XLogP value of 3.6884 indicates that Methyl 2-(3-quinolinyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, Methyl 2-(3-quinolinyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(3-quinolinyl)benzoate 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-(3-quinolinyl)benzoate?
The CAS number of Methyl 2-(3-quinolinyl)benzoate is 104967-48-8.
What is the molecular formula of Methyl 2-(3-quinolinyl)benzoate?
The molecular formula of Methyl 2-(3-quinolinyl)benzoate is C17H13NO2.
What is the molecular weight of Methyl 2-(3-quinolinyl)benzoate?
The molecular weight of Methyl 2-(3-quinolinyl)benzoate is 263.09 g/mol.
Where can I buy Methyl 2-(3-quinolinyl)benzoate?
You can request a quote for Methyl 2-(3-quinolinyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(3-quinolinyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(3-quinolinyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.