TL;DR: 2H-1-Benzopyran-2-one, 4-[(2-phenylethyl)amino]- (CAS 111222-28-7) is a chemical compound with molecular formula C17H15NO2 and molecular weight 265.1103 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-phenylethylamino)chromen-2-one
Also Known As: 4-(2-phenylethylamino)chromen-2-one, 4-Phenethylamino-chromen-2-one, 2H-1-Benzopyran-2-one, 4-[(2-phenylethyl)amino]-, 4-(phenethylamino)chromen-2-one, 4-[(2-phenylethyl)amino]chromen-2-one
| Molecular Formula | C17H15NO2 |
| Molecular Weight | 265.1103 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.1103 Da |
| Heavy Atoms | 20 |
| Complexity | 371.0 |
| SMILES | C1=CC=C(C=C1)CCNC2=CC(=O)OC3=CC=CC=C32 |
| InChIKey | BWZATJSVMMHRIQ-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 2H-1-Benzopyran-2-one, 4-[(2-phenylethyl)amino]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 2H-1-Benzopyran-2-one, 4-[(2-phenylethyl)amino]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzopyran-2-one, 4-[(2-phenylethyl)amino]- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2H-1-Benzopyran-2-one, 4-[(2-phenylethyl)amino]- is 111222-28-7.
The molecular formula of 2H-1-Benzopyran-2-one, 4-[(2-phenylethyl)amino]- is C17H15NO2.
The molecular weight of 2H-1-Benzopyran-2-one, 4-[(2-phenylethyl)amino]- is 265.1103 g/mol.
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