TL;DR: 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-6-(4-methylphenyl)-3,5,6-trimethyl- (CAS 105889-09-6) is a chemical compound with molecular formula C13H16N2O2 and molecular weight 232.12119 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5,6-trimethyl-6-(4-methylphenyl)-1,3,4-oxadiazin-2-one
Also Known As: 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-6-(4-methylphenyl)-3,5,6-trimethyl-, 3,6-Dihydro-6-(4-methylphenyl)-3,5,6-trimethyl-2H-1,3,4-oxadiazin-2-one, 3,5,6-trimethyl-6-(4-methylphenyl)-1,3,4-oxadiazin-2-one, 3,5,6-Trimethyl-6-(4-methylphenyl)-3,6-dihydro-2H-1,3,4-oxadiazin-2-one, BRN 5549546
| Molecular Formula | C13H16N2O2 |
| Molecular Weight | 232.12119 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.12119 Da |
| Heavy Atoms | 17 |
| Complexity | 345.0 |
| SMILES | CC1=CC=C(C=C1)C2(C(=NN(C(=O)O2)C)C)C |
| InChIKey | WCWKZEGHXDJSNU-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-6-(4-methylphenyl)-3,5,6-trimethyl-. With a topological polar surface area (TPSA) of 41.9 Ų, 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-6-(4-methylphenyl)-3,5,6-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-6-(4-methylphenyl)-3,5,6-trimethyl- 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-1,3,4-Oxadiazin-2-one, 3,6-dihydro-6-(4-methylphenyl)-3,5,6-trimethyl- is 105889-09-6.
The molecular formula of 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-6-(4-methylphenyl)-3,5,6-trimethyl- is C13H16N2O2.
The molecular weight of 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-6-(4-methylphenyl)-3,5,6-trimethyl- is 232.12119 g/mol.
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