TL;DR: 2H-1,4-Benzoxazin-3(4H)-one, 2,4-dimethyl-7-(1-oxo-2-phenyl-2-propenyl)- (CAS 135420-33-6) is a chemical compound with molecular formula C19H17NO3 and molecular weight 307.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-dimethyl-7-(2-phenylprop-2-enoyl)-1,4-benzoxazin-3-one
Also Known As: 2,4-Dimethyl-7-(1-oxo-2-phenyl-2-propenyl)-2H-1,4-benzoxazin-3(4H)-one, 2H-1,4-Benzoxazin-3(4H)-one, 2,4-dimethyl-7-(1-oxo-2-phenyl-2-propenyl)-, 2,4-dimethyl-7-(2-phenylprop-2-enoyl)-1,4-benzoxazin-3-one, 2,4-Dimethyl-7-(2-phenylacryloyl)-4H-1,4-benzoxazin-3(2H)-one, 2,4-Dimethyl-7-(2-phenylprop-2-enoyl)-2H-1,4-benzoxazin-3(4H)-one
| Molecular Formula | C19H17NO3 |
| Molecular Weight | 307.12085 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.12085 Da |
| Heavy Atoms | 23 |
| Complexity | 495.0 |
| SMILES | CC1C(=O)N(C2=C(O1)C=C(C=C2)C(=O)C(=C)C3=CC=CC=C3)C |
| InChIKey | FXOOEZZTROBMDB-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that 2H-1,4-Benzoxazin-3(4H)-one, 2,4-dimethyl-7-(1-oxo-2-phenyl-2-propenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, 2H-1,4-Benzoxazin-3(4H)-one, 2,4-dimethyl-7-(1-oxo-2-phenyl-2-propenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,4-Benzoxazin-3(4H)-one, 2,4-dimethyl-7-(1-oxo-2-phenyl-2-propenyl)- has 0 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-1,4-Benzoxazin-3(4H)-one, 2,4-dimethyl-7-(1-oxo-2-phenyl-2-propenyl)- is 135420-33-6.
The molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 2,4-dimethyl-7-(1-oxo-2-phenyl-2-propenyl)- is C19H17NO3.
The molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 2,4-dimethyl-7-(1-oxo-2-phenyl-2-propenyl)- is 307.12085 g/mol.
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