TL;DR: 4H-1-Benzopyran-4-one, 2-(1-naphthalenyl)- (CAS 113486-35-4) is a chemical compound with molecular formula C19H12O2 and molecular weight 272.08374 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-naphthalen-1-ylchromen-4-one
Also Known As: .delta.-Naphthoflavone, 2-naphthalen-1-ylchromen-4-one, 2-(Naphthalen-1-yl)-4H-chromen-4-one, 2-(1-Naphthyl)-4H-chromen-4-one, 4H-1-Benzopyran-4-one, 2-(1-naphthalenyl)-
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C19H12O2 |
| Molecular Weight | 272.08374 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.08374 Da |
| Heavy Atoms | 21 |
| Complexity | 439.0 |
| SMILES | C1=CC=C2C(=C1)C=CC=C2C3=CC(=O)C4=CC=CC=C4O3 |
| InChIKey | ZMSUUIVEJVVJQY-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that 4H-1-Benzopyran-4-one, 2-(1-naphthalenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4H-1-Benzopyran-4-one, 2-(1-naphthalenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1-Benzopyran-4-one, 2-(1-naphthalenyl)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4H-1-Benzopyran-4-one, 2-(1-naphthalenyl)- is 113486-35-4.
The molecular formula of 4H-1-Benzopyran-4-one, 2-(1-naphthalenyl)- is C19H12O2.
The molecular weight of 4H-1-Benzopyran-4-one, 2-(1-naphthalenyl)- is 272.08374 g/mol.
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