6-Methyl-2-phenyl-4H-3,1-benzoxazin-4-one
TL;DR: 6-Methyl-2-phenyl-4H-3,1-benzoxazin-4-one (CAS 117039-85-7) is a chemical compound with molecular formula C15H11NO2 and molecular weight 237.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methyl-2-phenyl-3,1-benzoxazin-4-one
Also Known As: 6-methyl-2-phenyl-4H-3,1-benzoxazin-4-one, 6-methyl-2-phenyl-3,1-benzoxazin-4-one, BAS 00721331, 6-Methyl-2-phenyl-4H-benzo[d][1,3]oxazin-4-one, 4H-3,1-Benzoxazin-4-one, 6-methyl-2-phenyl-
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H11NO2 |
| Molecular Weight | 237.07898 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.07898 Da |
| Heavy Atoms | 18 |
| Complexity | 358.0 |
| SMILES | CC1=CC2=C(C=C1)N=C(OC2=O)C3=CC=CC=C3 |
| InChIKey | XUKXDTOQDIGVOS-UHFFFAOYSA-N |
Chemical Property Profile of 6-Methyl-2-phenyl-4H-3,1-benzoxazin-4-one
Property Insights of 6-Methyl-2-phenyl-4H-3,1-benzoxazin-4-one
The XLogP value of 3.3 indicates that 6-Methyl-2-phenyl-4H-3,1-benzoxazin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, 6-Methyl-2-phenyl-4H-3,1-benzoxazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyl-2-phenyl-4H-3,1-benzoxazin-4-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-Methyl-2-phenyl-4H-3,1-benzoxazin-4-one?
The CAS number of 6-Methyl-2-phenyl-4H-3,1-benzoxazin-4-one is 117039-85-7.
What is the molecular formula of 6-Methyl-2-phenyl-4H-3,1-benzoxazin-4-one?
The molecular formula of 6-Methyl-2-phenyl-4H-3,1-benzoxazin-4-one is C15H11NO2.
What is the molecular weight of 6-Methyl-2-phenyl-4H-3,1-benzoxazin-4-one?
The molecular weight of 6-Methyl-2-phenyl-4H-3,1-benzoxazin-4-one is 237.07898 g/mol.
Where can I buy 6-Methyl-2-phenyl-4H-3,1-benzoxazin-4-one?
You can request a quote for 6-Methyl-2-phenyl-4H-3,1-benzoxazin-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Methyl-2-phenyl-4H-3,1-benzoxazin-4-one?
Yes, CoreyChem provides custom synthesis services for 6-Methyl-2-phenyl-4H-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.