Brequinar
TL;DR: Brequinar (CAS 96187-53-0) is a chemical compound with molecular formula C23H15F2NO2 and molecular weight 375.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylic acid
Also Known As: Brequinar, brequinarum, Biphenquinate, Brequinar [INN], brequinarum [Latin]
| Molecular Formula | C23H15F2NO2 |
|---|---|
| Molecular Weight | 375.11 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 375.1071 |
| Heavy Atoms | 28 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 96187-53-0 |
|---|---|
| SMILES | CC1=C(C2=C(C=CC(=C2)F)N=C1C3=CC=C(C=C3)C4=CC=CC=C4F)C(=O)O |
| InChIKey | PHEZJEYUWHETKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Brequinar (CAS 96187-53-0), with molecular formula C23H15F2NO2 and molecular weight 375.11 g/mol. IUPAC: 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylic acid.
Chemical Property Profile of Brequinar
Property Insights of Brequinar
The XLogP value of 5.6 indicates that Brequinar is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.2 Ų, Brequinar exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Brequinar has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Brequinar?
The CAS number of Brequinar is 96187-53-0.
What is the molecular formula of Brequinar?
The molecular formula of Brequinar is C23H15F2NO2.
What is the molecular weight of Brequinar?
The molecular weight of Brequinar is 375.11 g/mol.
Where can I buy Brequinar?
You can request a quote for Brequinar directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brequinar?
Yes, KEHONG BIO provides custom synthesis services for Brequinar and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.