Befuraline
TL;DR: Befuraline (CAS 41717-30-0) is a chemical compound with molecular formula C20H20N2O2 and molecular weight 320.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzofuran-2-yl-(4-benzylpiperazin-1-yl)methanone
Also Known As: Befuraline, Befuralina, Befuralinum, Befuraline [INN], befuraline[inn]
| Molecular Formula | C20H20N2O2 |
|---|---|
| Molecular Weight | 320.15 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.15247 |
| Heavy Atoms | 24 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 41717-30-0 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4O3 |
| InChIKey | SRIJFPBZWUFLFD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Befuraline (CAS 41717-30-0), with molecular formula C20H20N2O2 and molecular weight 320.15 g/mol. IUPAC: 1-benzofuran-2-yl-(4-benzylpiperazin-1-yl)methanone.
Chemical Property Profile of Befuraline
Property Insights of Befuraline
The XLogP value of 3.6 indicates that Befuraline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.7 Ų, Befuraline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Befuraline has 0 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 Befuraline?
The CAS number of Befuraline is 41717-30-0.
What is the molecular formula of Befuraline?
The molecular formula of Befuraline is C20H20N2O2.
What is the molecular weight of Befuraline?
The molecular weight of Befuraline is 320.15 g/mol.
Where can I buy Befuraline?
You can request a quote for Befuraline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Befuraline?
Yes, KEHONG BIO provides custom synthesis services for Befuraline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.