Flufylline
TL;DR: Flufylline (CAS 82190-91-8) is a chemical compound with molecular formula C21H24FN5O3 and molecular weight 413.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione
Also Known As: Flufylline, Flufyllin, Flufilina, Flufyllinum, Flufylline [INN]
| Molecular Formula | C21H24FN5O3 |
|---|---|
| Molecular Weight | 413.19 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.1863 |
| Heavy Atoms | 30 |
| Complexity | 676.0 |
Chemical Identifiers
| CAS Number | 82190-91-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F |
| InChIKey | PMEYQPKJAPXGPS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Flufylline (CAS 82190-91-8), with molecular formula C21H24FN5O3 and molecular weight 413.19 g/mol. IUPAC: 7-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of Flufylline
Property Insights of Flufylline
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Flufylline. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Flufylline. Following Lipinski's Rule of Five, Flufylline has 0 hydrogen bond donor(s) and 6 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 Flufylline?
The CAS number of Flufylline is 82190-91-8.
What is the molecular formula of Flufylline?
The molecular formula of Flufylline is C21H24FN5O3.
What is the molecular weight of Flufylline?
The molecular weight of Flufylline is 413.19 g/mol.
Where can I buy Flufylline?
You can request a quote for Flufylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Flufylline?
Yes, KEHONG BIO provides custom synthesis services for Flufylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.