TL;DR: Becanthone (CAS 15351-04-9) is a chemical compound with molecular formula C22H28N2O2S and molecular weight 384.18716 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethylamino]-4-methylthioxanthen-9-one
Also Known As: Becanthone, Becantone [INN], BECANTONE, Becanton, Becantona
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C22H28N2O2S |
| Molecular Weight | 384.18716 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 77.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 384.18716 Da |
| Heavy Atoms | 27 |
| Complexity | 513.0 |
| SMILES | CCN(CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O)CC(C)(C)O |
| InChIKey | ATQREMXMJIWUIN-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that Becanthone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Becanthone. Following Lipinski's Rule of Five, Becanthone has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Becanthone is 15351-04-9.
The molecular formula of Becanthone is C22H28N2O2S.
The molecular weight of Becanthone is 384.18716 g/mol.
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