(2-Methylquinolin-8-yl) 2-fluorobenzoate
TL;DR: (2-Methylquinolin-8-yl) 2-fluorobenzoate (CAS 333311-40-3) is a chemical compound with molecular formula C17H12FNO2 and molecular weight 281.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylquinolin-8-yl) 2-fluorobenzoate
Also Known As: (2-methylquinolin-8-yl) 2-fluorobenzoate, 2-methyl-8-quinolinyl 2-fluorobenzoate, 2-methylquinolin-8-yl 2-fluorobenzoate, IFLab1_004399, IFLab2_000237
| Molecular Formula | C17H12FNO2 |
|---|---|
| Molecular Weight | 281.09 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.0852 |
| Heavy Atoms | 21 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 333311-40-3 |
|---|---|
| SMILES | CC1=NC2=C(C=CC=C2OC(=O)C3=CC=CC=C3F)C=C1 |
| InChIKey | RGSXHKZAKJICHD-UHFFFAOYSA-N |
Product Overview
(2-Methylquinolin-8-yl) 2-fluorobenzoate (CAS 333311-40-3), with molecular formula C17H12FNO2 and molecular weight 281.09 g/mol. IUPAC: (2-methylquinolin-8-yl) 2-fluorobenzoate.
Chemical Property Profile of (2-Methylquinolin-8-yl) 2-fluorobenzoate
Property Insights of (2-Methylquinolin-8-yl) 2-fluorobenzoate
The XLogP value of 4.1 indicates that (2-Methylquinolin-8-yl) 2-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, (2-Methylquinolin-8-yl) 2-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Methylquinolin-8-yl) 2-fluorobenzoate 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 (2-Methylquinolin-8-yl) 2-fluorobenzoate?
The CAS number of (2-Methylquinolin-8-yl) 2-fluorobenzoate is 333311-40-3.
What is the molecular formula of (2-Methylquinolin-8-yl) 2-fluorobenzoate?
The molecular formula of (2-Methylquinolin-8-yl) 2-fluorobenzoate is C17H12FNO2.
What is the molecular weight of (2-Methylquinolin-8-yl) 2-fluorobenzoate?
The molecular weight of (2-Methylquinolin-8-yl) 2-fluorobenzoate is 281.09 g/mol.
Where can I buy (2-Methylquinolin-8-yl) 2-fluorobenzoate?
You can request a quote for (2-Methylquinolin-8-yl) 2-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Methylquinolin-8-yl) 2-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (2-Methylquinolin-8-yl) 2-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.