TL;DR: 2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-benzoxazin-4-one (CAS 1060548-28-8) is a chemical compound with molecular formula C16H10ClNO2 and molecular weight 283.04 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-benzoxazin-4-one
Also Known As: AE-848/12124018, 2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-benzoxazin-4-one, 2-[2-(4-chlorophenyl)vinyl]-4H-1,3-benzoxazin-4-one, (E)-2-(4-chlorostyryl)-4H-benzo[e][1,3]oxazin-4-one, 2-[(E)-2-(4-chlorophenyl)ethenyl]-4H-1,3-benzoxazin-4-one
| Molecular Formula | C16H10ClNO2 |
| Molecular Weight | 283.04 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.04 Da |
| Heavy Atoms | 20 |
| Complexity | 424.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)N=C(O2)/C=C/C3=CC=C(C=C3)Cl |
| InChIKey | KOEIWNUJWJSLHO-JXMROGBWSA-N |
The XLogP value of 3.6 indicates that 2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-benzoxazin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, 2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-benzoxazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-benzoxazin-4-one 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 2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-benzoxazin-4-one is 1060548-28-8.
The molecular formula of 2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-benzoxazin-4-one is C16H10ClNO2.
The molecular weight of 2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-benzoxazin-4-one is 283.04 g/mol.
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