TL;DR: 2H-1,4-Benzoxazin-3(4H)-one, 6-(2-(4-methoxyphenyl)-4-thiazolyl)-4-methyl- (CAS 114566-51-7) is a chemical compound with molecular formula C19H16N2O3S and molecular weight 352.08817 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,4-benzoxazin-3-one
Also Known As: 2H-1,4-Benzoxazin-3(4H)-one, 6-(2-(4-methoxyphenyl)-4-thiazolyl)-4-methyl-, 6-(2-(4-Methoxyphenyl)-4-thiazolyl)-4-methyl-2H-1,4-benzoxazin-3(4H)-one, 6-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,4-benzoxazin-3-one, 6-[2-(4-Methoxyphenyl)-1,3-thiazol-4-yl]-4-methyl-2H-1,4-benzoxazin-3(4H)-one
| Molecular Formula | C19H16N2O3S |
| Molecular Weight | 352.08817 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 79.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.08817 Da |
| Heavy Atoms | 25 |
| Complexity | 483.0 |
| SMILES | CN1C(=O)COC2=C1C=C(C=C2)C3=CSC(=N3)C4=CC=C(C=C4)OC |
| InChIKey | STLWLHGELLFXBL-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that 2H-1,4-Benzoxazin-3(4H)-one, 6-(2-(4-methoxyphenyl)-4-thiazolyl)-4-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,4-Benzoxazin-3(4H)-one, 6-(2-(4-methoxyphenyl)-4-thiazolyl)-4-methyl-. Following Lipinski's Rule of Five, 2H-1,4-Benzoxazin-3(4H)-one, 6-(2-(4-methoxyphenyl)-4-thiazolyl)-4-methyl- has 0 hydrogen bond donor(s) and 5 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, 6-(2-(4-methoxyphenyl)-4-thiazolyl)-4-methyl- is 114566-51-7.
The molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 6-(2-(4-methoxyphenyl)-4-thiazolyl)-4-methyl- is C19H16N2O3S.
The molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 6-(2-(4-methoxyphenyl)-4-thiazolyl)-4-methyl- is 352.08817 g/mol.
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