6-(1,1-Dimethylethyl)-2,3-dihydro-N-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-4-acetamide
TL;DR: 6-(1,1-Dimethylethyl)-2,3-dihydro-N-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-4-acetamide (CAS 1002651-05-9) is a chemical compound with molecular formula C21H24N2O3 and molecular weight 352.17868 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methylphenyl)acetamide
Also Known As: 6-(1,1-Dimethylethyl)-2,3-dihydro-N-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-4-acetamide, 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methylphenyl)acetamide, 2-(6-tert-butyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-(4-methylphenyl)acetamide
Technical Specifications
| Molecular Formula | C21H24N2O3 |
| Molecular Weight | 352.17868 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.17868 Da |
| Heavy Atoms | 26 |
| Complexity | 520.0 |
| SMILES | CC1=CC=C(C=C1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)C(C)(C)C |
| InChIKey | PUFYQAFKSLNOBL-UHFFFAOYSA-N |
Chemical Property Profile of 6-(1,1-Dimethylethyl)-2,3-dihydro-N-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-4-acetamide
Property Insights of 6-(1,1-Dimethylethyl)-2,3-dihydro-N-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-4-acetamide
The XLogP value of 4.0 indicates that 6-(1,1-Dimethylethyl)-2,3-dihydro-N-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-4-acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, 6-(1,1-Dimethylethyl)-2,3-dihydro-N-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-4-acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(1,1-Dimethylethyl)-2,3-dihydro-N-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-4-acetamide 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 6-(1,1-Dimethylethyl)-2,3-dihydro-N-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-4-acetamide?
The CAS number of 6-(1,1-Dimethylethyl)-2,3-dihydro-N-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-4-acetamide is 1002651-05-9.
What is the molecular formula of 6-(1,1-Dimethylethyl)-2,3-dihydro-N-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-4-acetamide?
The molecular formula of 6-(1,1-Dimethylethyl)-2,3-dihydro-N-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-4-acetamide is C21H24N2O3.
What is the molecular weight of 6-(1,1-Dimethylethyl)-2,3-dihydro-N-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-4-acetamide?
The molecular weight of 6-(1,1-Dimethylethyl)-2,3-dihydro-N-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-4-acetamide is 352.17868 g/mol.
Where can I buy 6-(1,1-Dimethylethyl)-2,3-dihydro-N-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-4-acetamide?
You can request a quote for 6-(1,1-Dimethylethyl)-2,3-dihydro-N-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-4-acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-(1,1-Dimethylethyl)-2,3-dihydro-N-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-4-acetamide?
Yes, CoreyChem provides custom synthesis services for 6-(1,1-Dimethylethyl)-2,3-dihydro-N-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-4-acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.