6-(4-Chlorophenyl)-3,5,6-trimethyl-3,6-dihydro-2H-1,3,4-oxadiazin-2-one
TL;DR: 6-(4-Chlorophenyl)-3,5,6-trimethyl-3,6-dihydro-2H-1,3,4-oxadiazin-2-one (CAS 105889-14-3) is a chemical compound with molecular formula C12H13ClN2O2 and molecular weight 252.06656 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(4-chlorophenyl)-3,5,6-trimethyl-1,3,4-oxadiazin-2-one
Also Known As: 3,6-Dihydro-6-(p-chlorophenyl)-3,5,6-trimethyl-2H-1,3,4-oxadiazin-2-one, 6-(4-chlorophenyl)-3,5,6-trimethyl-1,3,4-oxadiazin-2-one, 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-6-(p-chlorophenyl)-3,5,6-trimethyl-, 6-(4-Chlorophenyl)-3,5,6-trimethyl-3,6-dihydro-2H-1,3,4-oxadiazin-2-one, BRN 5556412
Technical Specifications
| Molecular Formula | C12H13ClN2O2 |
| Molecular Weight | 252.06656 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.06656 Da |
| Heavy Atoms | 17 |
| Complexity | 350.0 |
| SMILES | CC1=NN(C(=O)OC1(C)C2=CC=C(C=C2)Cl)C |
| InChIKey | FSQCJKYJIBNTEV-UHFFFAOYSA-N |
Chemical Property Profile of 6-(4-Chlorophenyl)-3,5,6-trimethyl-3,6-dihydro-2H-1,3,4-oxadiazin-2-one
Property Insights of 6-(4-Chlorophenyl)-3,5,6-trimethyl-3,6-dihydro-2H-1,3,4-oxadiazin-2-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(4-Chlorophenyl)-3,5,6-trimethyl-3,6-dihydro-2H-1,3,4-oxadiazin-2-one. With a topological polar surface area (TPSA) of 41.9 Ų, 6-(4-Chlorophenyl)-3,5,6-trimethyl-3,6-dihydro-2H-1,3,4-oxadiazin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(4-Chlorophenyl)-3,5,6-trimethyl-3,6-dihydro-2H-1,3,4-oxadiazin-2-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-(4-Chlorophenyl)-3,5,6-trimethyl-3,6-dihydro-2H-1,3,4-oxadiazin-2-one?
The CAS number of 6-(4-Chlorophenyl)-3,5,6-trimethyl-3,6-dihydro-2H-1,3,4-oxadiazin-2-one is 105889-14-3.
What is the molecular formula of 6-(4-Chlorophenyl)-3,5,6-trimethyl-3,6-dihydro-2H-1,3,4-oxadiazin-2-one?
The molecular formula of 6-(4-Chlorophenyl)-3,5,6-trimethyl-3,6-dihydro-2H-1,3,4-oxadiazin-2-one is C12H13ClN2O2.
What is the molecular weight of 6-(4-Chlorophenyl)-3,5,6-trimethyl-3,6-dihydro-2H-1,3,4-oxadiazin-2-one?
The molecular weight of 6-(4-Chlorophenyl)-3,5,6-trimethyl-3,6-dihydro-2H-1,3,4-oxadiazin-2-one is 252.06656 g/mol.
Where can I buy 6-(4-Chlorophenyl)-3,5,6-trimethyl-3,6-dihydro-2H-1,3,4-oxadiazin-2-one?
You can request a quote for 6-(4-Chlorophenyl)-3,5,6-trimethyl-3,6-dihydro-2H-1,3,4-oxadiazin-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-(4-Chlorophenyl)-3,5,6-trimethyl-3,6-dihydro-2H-1,3,4-oxadiazin-2-one?
Yes, CoreyChem provides custom synthesis services for 6-(4-Chlorophenyl)-3,5,6-trimethyl-3,6-dihydro-2H-1,3,4-oxadiazin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.