4-Phenyl-1,3,4-oxadiazinan-2-one
TL;DR: 4-Phenyl-1,3,4-oxadiazinan-2-one (CAS 122611-86-3) is a chemical compound with molecular formula C9H10N2O2 and molecular weight 178.07423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-phenyl-1,3,4-oxadiazinan-2-one
Also Known As: 4-phenyl-1,3,4-oxadiazinan-2-one, 4-phenyl-3H-trihydro-1,3,4-oxadiazin-2-one, 2H-1,3,4-Oxadiazin-2-one, tetrahydro-4-phenyl-
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H10N2O2 |
| Molecular Weight | 178.07423 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.07423 Da |
| Heavy Atoms | 13 |
| Complexity | 190.0 |
| SMILES | C1COC(=O)NN1C2=CC=CC=C2 |
| InChIKey | QTCIDALGEVPAQO-UHFFFAOYSA-N |
Chemical Property Profile of 4-Phenyl-1,3,4-oxadiazinan-2-one
Property Insights of 4-Phenyl-1,3,4-oxadiazinan-2-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Phenyl-1,3,4-oxadiazinan-2-one. With a topological polar surface area (TPSA) of 41.6 Ų, 4-Phenyl-1,3,4-oxadiazinan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenyl-1,3,4-oxadiazinan-2-one has 1 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 4-Phenyl-1,3,4-oxadiazinan-2-one?
The CAS number of 4-Phenyl-1,3,4-oxadiazinan-2-one is 122611-86-3.
What is the molecular formula of 4-Phenyl-1,3,4-oxadiazinan-2-one?
The molecular formula of 4-Phenyl-1,3,4-oxadiazinan-2-one is C9H10N2O2.
What is the molecular weight of 4-Phenyl-1,3,4-oxadiazinan-2-one?
The molecular weight of 4-Phenyl-1,3,4-oxadiazinan-2-one is 178.07423 g/mol.
Where can I buy 4-Phenyl-1,3,4-oxadiazinan-2-one?
You can request a quote for 4-Phenyl-1,3,4-oxadiazinan-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Phenyl-1,3,4-oxadiazinan-2-one?
Yes, CoreyChem provides custom synthesis services for 4-Phenyl-1,3,4-oxadiazinan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.