3-phenylquinoline-4-carboxylic acid
TL;DR: 3-phenylquinoline-4-carboxylic acid (CAS 78317-97-2) is a chemical compound with molecular formula C16H11NO2 and molecular weight 249.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylquinoline-4-carboxylic acid
Also Known As: 3-phenylquinoline-4-carboxylic acid, 3-Phenyl-4-quinolinecarboxylic acid, RefChem:357314
| Molecular Formula | C16H11NO2 |
|---|---|
| Molecular Weight | 249.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.07898 |
| Heavy Atoms | 19 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 78317-97-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N=C2)C(=O)O |
| InChIKey | CGLYUMRYFOEGNE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-phenylquinoline-4-carboxylic acid (CAS 78317-97-2), with molecular formula C16H11NO2 and molecular weight 249.08 g/mol. IUPAC: 3-phenylquinoline-4-carboxylic acid.
Chemical Property Profile of 3-phenylquinoline-4-carboxylic acid
Property Insights of 3-phenylquinoline-4-carboxylic acid
The XLogP value of 3.3 indicates that 3-phenylquinoline-4-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.2 Ų, 3-phenylquinoline-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-phenylquinoline-4-carboxylic acid has 1 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 3-phenylquinoline-4-carboxylic acid?
The CAS number of 3-phenylquinoline-4-carboxylic acid is 78317-97-2.
What is the molecular formula of 3-phenylquinoline-4-carboxylic acid?
The molecular formula of 3-phenylquinoline-4-carboxylic acid is C16H11NO2.
What is the molecular weight of 3-phenylquinoline-4-carboxylic acid?
The molecular weight of 3-phenylquinoline-4-carboxylic acid is 249.08 g/mol.
Where can I buy 3-phenylquinoline-4-carboxylic acid?
You can request a quote for 3-phenylquinoline-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-phenylquinoline-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-phenylquinoline-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.