Floxacrine
TL;DR: Floxacrine (CAS 53966-34-0) is a chemical compound with molecular formula C20H13ClF3NO3 and molecular weight 407.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-10-hydroxy-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-acridine-1,9-dione
Also Known As: Floxacrine, Floxacrina, Floxacrinum, floxacrine[inn], Floxacrine [INN]
| Molecular Formula | C20H13ClF3NO3 |
|---|---|
| Molecular Weight | 407.05 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 407.05362 |
| Heavy Atoms | 28 |
| Complexity | 699.0 |
Chemical Identifiers
| CAS Number | 53966-34-0 |
|---|---|
| SMILES | C1C(CC(=O)C2=C1N(C3=C(C2=O)C=C(C=C3)Cl)O)C4=CC=C(C=C4)C(F)(F)F |
| InChIKey | AWHZKKVSUJJVNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Floxacrine (CAS 53966-34-0), with molecular formula C20H13ClF3NO3 and molecular weight 407.05 g/mol. IUPAC: 7-chloro-10-hydroxy-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-acridine-1,9-dione.
Chemical Property Profile of Floxacrine
Property Insights of Floxacrine
The XLogP value of 3.5 indicates that Floxacrine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.6 Ų, Floxacrine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Floxacrine has 1 hydrogen bond donor(s) and 7 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 Floxacrine?
The CAS number of Floxacrine is 53966-34-0.
What is the molecular formula of Floxacrine?
The molecular formula of Floxacrine is C20H13ClF3NO3.
What is the molecular weight of Floxacrine?
The molecular weight of Floxacrine is 407.05 g/mol.
Where can I buy Floxacrine?
You can request a quote for Floxacrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Floxacrine?
Yes, KEHONG BIO provides custom synthesis services for Floxacrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.