Brefonalol
TL;DR: Brefonalol (CAS 104051-20-9) is a chemical compound with molecular formula C22H28N2O2 and molecular weight 352.2151 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[1-hydroxy-2-[(2-methyl-4-phenylbutan-2-yl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one
Also Known As: Brefonalol, Brefanolol, Brefonalolum, Brefonalol [INN], Brefonalolum [Latin]
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C22H28N2O2 |
| Molecular Weight | 352.2151 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 61.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 352.2151 Da |
| Heavy Atoms | 26 |
| Complexity | 459.0 |
| SMILES | CC(C)(CCC1=CC=CC=C1)NCC(C2=CC3=C(C=C2)NC(=O)CC3)O |
| InChIKey | YYUZPBGIBVJYSI-UHFFFAOYSA-N |
Chemical Property Profile of Brefonalol
Property Insights of Brefonalol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Brefonalol. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Brefonalol. Following Lipinski's Rule of Five, Brefonalol has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Brefonalol?
The CAS number of Brefonalol is 104051-20-9.
What is the molecular formula of Brefonalol?
The molecular formula of Brefonalol is C22H28N2O2.
What is the molecular weight of Brefonalol?
The molecular weight of Brefonalol is 352.2151 g/mol.
Where can I buy Brefonalol?
You can request a quote for Brefonalol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Brefonalol?
Yes, CoreyChem provides custom synthesis services for Brefonalol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.