TL;DR: 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-6-(p-chlorophenyl)-5,6-dimethyl- (CAS 105889-13-2) is a chemical compound with molecular formula C11H11ClN2O2 and molecular weight 238.0509 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(4-chlorophenyl)-5,6-dimethyl-3H-1,3,4-oxadiazin-2-one
Also Known As: 3,6-Dihydro-6-(p-chlorophenyl)-5,6-dimethyl-2H-1,3,4-oxadiazin-2-one, 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-6-(p-chlorophenyl)-5,6-dimethyl-, 6-(4-chlorophenyl)-5,6-dimethyl-3H-1,3,4-oxadiazin-2-one, 6-(4-Chlorophenyl)-5,6-dimethyl-6H-1,3,4-oxadiazin-2-ol, BRN 5546978
| Molecular Formula | C11H11ClN2O2 |
| Molecular Weight | 238.0509 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 238.0509 Da |
| Heavy Atoms | 16 |
| Complexity | 324.0 |
| SMILES | CC1=NNC(=O)OC1(C)C2=CC=C(C=C2)Cl |
| InChIKey | ZSBCAULXXQNXLR-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-(p-chlorophenyl)-5,6-dimethyl-. With a topological polar surface area (TPSA) of 50.7 Ų, 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-6-(p-chlorophenyl)-5,6-dimethyl- 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-(p-chlorophenyl)-5,6-dimethyl- has 1 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-(p-chlorophenyl)-5,6-dimethyl- is 105889-13-2.
The molecular formula of 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-6-(p-chlorophenyl)-5,6-dimethyl- is C11H11ClN2O2.
The molecular weight of 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-6-(p-chlorophenyl)-5,6-dimethyl- is 238.0509 g/mol.
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