Befuraline hydrochloride
TL;DR: Befuraline hydrochloride (CAS 41716-84-1) is a chemical compound with molecular formula C20H21ClN2O2 and molecular weight 356.13 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;hydrochloride
Also Known As: Befuraline hydrochloride, Befuraline HCl, befuraline monohydrochloride, BEFURALINE HYDROCHLORIDE [MART.], N-(Benzo(b)furan-2-ylcarbonyl)-N'-benzylpiperazine hydrochloride
| Molecular Formula | C20H21ClN2O2 |
|---|---|
| Molecular Weight | 356.13 g/mol |
| LogP | 3.81 |
| Topological Polar Surface Area | 36.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.12915 |
| Heavy Atoms | 25 |
| Complexity | 427.0 |
| Solubility | 41.5 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 41716-84-1 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4O3.Cl |
| InChIKey | GMEYXHHLZUAKDY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Befuraline hydrochloride (CAS 41716-84-1), with molecular formula C20H21ClN2O2 and molecular weight 356.13 g/mol. IUPAC: 1-benzofuran-2-yl-(4-benzylpiperazin-1-yl)methanone;hydrochloride.
Chemical Property Profile of Befuraline hydrochloride
Property Insights of Befuraline hydrochloride
The XLogP value of 3.81 indicates that Befuraline hydrochloride 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 hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Befuraline hydrochloride 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 Befuraline hydrochloride?
The CAS number of Befuraline hydrochloride is 41716-84-1.
What is the molecular formula of Befuraline hydrochloride?
The molecular formula of Befuraline hydrochloride is C20H21ClN2O2.
What is the molecular weight of Befuraline hydrochloride?
The molecular weight of Befuraline hydrochloride is 356.13 g/mol.
Where can I buy Befuraline hydrochloride?
You can request a quote for Befuraline hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Befuraline hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Befuraline hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.