Methyl 4-(3-quinolinyl)benzoate
TL;DR: Methyl 4-(3-quinolinyl)benzoate (CAS 104967-79-5) is a chemical compound with molecular formula C17H13NO2 and molecular weight 263.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-quinolin-3-ylbenzoate
Also Known As: methyl 4-(3-quinolinyl)benzoate, Methyl 4-quinolin-3-ylbenzoate, BB 0222751
Technical Specifications
| Molecular Formula | C17H13NO2 |
| Molecular Weight | 263.09464 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.09464 Da |
| Heavy Atoms | 20 |
| Complexity | 336.0 |
| SMILES | COC(=O)C1=CC=C(C=C1)C2=CC3=CC=CC=C3N=C2 |
| InChIKey | KTUITSIEEDVERS-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-(3-quinolinyl)benzoate
Property Insights of Methyl 4-(3-quinolinyl)benzoate
The XLogP value of 3.6 indicates that Methyl 4-(3-quinolinyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, Methyl 4-(3-quinolinyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(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
What is the CAS number of Methyl 4-(3-quinolinyl)benzoate?
The CAS number of Methyl 4-(3-quinolinyl)benzoate is 104967-79-5.
What is the molecular formula of Methyl 4-(3-quinolinyl)benzoate?
The molecular formula of Methyl 4-(3-quinolinyl)benzoate is C17H13NO2.
What is the molecular weight of Methyl 4-(3-quinolinyl)benzoate?
The molecular weight of Methyl 4-(3-quinolinyl)benzoate is 263.09464 g/mol.
Where can I buy Methyl 4-(3-quinolinyl)benzoate?
You can request a quote for Methyl 4-(3-quinolinyl)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-(3-quinolinyl)benzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-(3-quinolinyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.