TL;DR: 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-6-(4-methoxyphenyl)-3,5,6-trimethyl- (CAS 105889-17-6) is a chemical compound with molecular formula C13H16N2O3 and molecular weight 248.11609 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(4-methoxyphenyl)-3,5,6-trimethyl-1,3,4-oxadiazin-2-one
Also Known As: 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-6-(4-methoxyphenyl)-3,5,6-trimethyl-, 3,6-Dihydro-6-(4-methoxyphenyl)-3,5,6-trimethyl-2H-1,3,4-oxadiazin-2-one, 6-(4-methoxyphenyl)-3,5,6-trimethyl-1,3,4-oxadiazin-2-one, 6-(4-Methoxyphenyl)-3,5,6-trimethyl-3,6-dihydro-2H-1,3,4-oxadiazin-2-one, BRN 5559844
| Molecular Formula | C13H16N2O3 |
| Molecular Weight | 248.11609 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.11609 Da |
| Heavy Atoms | 18 |
| Complexity | 361.0 |
| SMILES | CC1=NN(C(=O)OC1(C)C2=CC=C(C=C2)OC)C |
| InChIKey | YQHDSOFELPIUBM-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-6-(4-methoxyphenyl)-3,5,6-trimethyl-. With a topological polar surface area (TPSA) of 51.1 Ų, 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-6-(4-methoxyphenyl)-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-methoxyphenyl)-3,5,6-trimethyl- 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-1,3,4-Oxadiazin-2-one, 3,6-dihydro-6-(4-methoxyphenyl)-3,5,6-trimethyl- is 105889-17-6.
The molecular formula of 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-6-(4-methoxyphenyl)-3,5,6-trimethyl- is C13H16N2O3.
The molecular weight of 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-6-(4-methoxyphenyl)-3,5,6-trimethyl- is 248.11609 g/mol.
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