TL;DR: 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5,6-dimethyl-6-(p-methoxyphenyl)- (CAS 105889-16-5) is a chemical compound with molecular formula C12H14N2O3 and molecular weight 234.10045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(4-methoxyphenyl)-5,6-dimethyl-3H-1,3,4-oxadiazin-2-one
Also Known As: 3,6-Dihydro-5,6-dimethyl-6-(p-methoxyphenyl)-2H-1,3,4-oxadiazin-2-one, 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5,6-dimethyl-6-(p-methoxyphenyl)-, 6-(4-methoxyphenyl)-5,6-dimethyl-3H-1,3,4-oxadiazin-2-one, 6-(4-Methoxyphenyl)-5,6-dimethyl-6H-1,3,4-oxadiazin-2-ol, BRN 5557022
| Molecular Formula | C12H14N2O3 |
| Molecular Weight | 234.10045 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 59.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.10045 Da |
| Heavy Atoms | 17 |
| Complexity | 335.0 |
| SMILES | CC1=NNC(=O)OC1(C)C2=CC=C(C=C2)OC |
| InChIKey | OKHLFHJMASBNOP-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5,6-dimethyl-6-(p-methoxyphenyl)-. With a topological polar surface area (TPSA) of 59.9 Ų, 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5,6-dimethyl-6-(p-methoxyphenyl)- 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-5,6-dimethyl-6-(p-methoxyphenyl)- has 1 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-5,6-dimethyl-6-(p-methoxyphenyl)- is 105889-16-5.
The molecular formula of 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5,6-dimethyl-6-(p-methoxyphenyl)- is C12H14N2O3.
The molecular weight of 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5,6-dimethyl-6-(p-methoxyphenyl)- is 234.10045 g/mol.
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