TL;DR: 2H-1,4-Benzoxazin-3(4H)-one, 4-ethyl-6-(2-phenyl-4-thiazolyl)- (CAS 114566-52-8) is a chemical compound with molecular formula C19H16N2O2S and molecular weight 336.09326 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-ethyl-6-(2-phenyl-1,3-thiazol-4-yl)-1,4-benzoxazin-3-one
Also Known As: 2H-1,4-Benzoxazin-3(4H)-one, 4-ethyl-6-(2-phenyl-4-thiazolyl)-, 4-Ethyl-6-(2-phenyl-4-thiazolyl)-2H-1,4-benzoxazin-3(4H)-one, 4-ethyl-6-(2-phenyl-1,3-thiazol-4-yl)-1,4-benzoxazin-3-one, 4-Ethyl-6-(2-phenyl-1,3-thiazol-4-yl)-2H-1,4-benzoxazin-3(4H)-one
| Molecular Formula | C19H16N2O2S |
| Molecular Weight | 336.09326 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 70.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.09326 Da |
| Heavy Atoms | 24 |
| Complexity | 455.0 |
| SMILES | CCN1C(=O)COC2=C1C=C(C=C2)C3=CSC(=N3)C4=CC=CC=C4 |
| InChIKey | QWTKWTYQENETTB-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 2H-1,4-Benzoxazin-3(4H)-one, 4-ethyl-6-(2-phenyl-4-thiazolyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,4-Benzoxazin-3(4H)-one, 4-ethyl-6-(2-phenyl-4-thiazolyl)-. Following Lipinski's Rule of Five, 2H-1,4-Benzoxazin-3(4H)-one, 4-ethyl-6-(2-phenyl-4-thiazolyl)- has 0 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 2H-1,4-Benzoxazin-3(4H)-one, 4-ethyl-6-(2-phenyl-4-thiazolyl)- is 114566-52-8.
The molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 4-ethyl-6-(2-phenyl-4-thiazolyl)- is C19H16N2O2S.
The molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 4-ethyl-6-(2-phenyl-4-thiazolyl)- is 336.09326 g/mol.
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