TL;DR: Alprafenone (CAS 124316-02-5) is a chemical compound with molecular formula C25H35NO4 and molecular weight 413.25662 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-[2-hydroxy-3-(2-methylbutan-2-ylamino)propoxy]-4-methoxyphenyl]-1-(4-methylphenyl)propan-1-one
Also Known As: Alprafenone, Alprafenona, Alprafenonum, Alprafenone [INN], alprafenone[inn]
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C25H35NO4 |
| Molecular Weight | 413.25662 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 67.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 413.25662 Da |
| Heavy Atoms | 30 |
| Complexity | 501.0 |
| SMILES | CCC(C)(C)NCC(COC1=C(C=CC(=C1)CCC(=O)C2=CC=C(C=C2)C)OC)O |
| InChIKey | WUUQBRHWNUFEEB-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that Alprafenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Alprafenone. Following Lipinski's Rule of Five, Alprafenone 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 Alprafenone is 124316-02-5.
The molecular formula of Alprafenone is C25H35NO4.
The molecular weight of Alprafenone is 413.25662 g/mol.
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