TL;DR: Nafetolol (CAS 42050-23-7) is a chemical compound with molecular formula C19H29NO3 and molecular weight 319.21475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[3-(tert-butylamino)-2-hydroxypropoxy]tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-3-ol
Also Known As: Nafetolol, Nafetololum, Nafetolol [INN], d-Glucal, Nafetololum [INN-Latin]
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C19H29NO3 |
| Molecular Weight | 319.21475 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 61.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 319.21475 Da |
| Heavy Atoms | 23 |
| Complexity | 387.0 |
| SMILES | CC(C)(C)NCC(COC1=C2C3CCC(C2=C(C=C1)O)CC3)O |
| InChIKey | GEVXLKYQQIKELK-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that Nafetolol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Nafetolol. Following Lipinski's Rule of Five, Nafetolol has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Nafetolol is 42050-23-7.
The molecular formula of Nafetolol is C19H29NO3.
The molecular weight of Nafetolol is 319.21475 g/mol.
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