2-(4-tert-Butylphenyl)-4H-3,1-benzoxazin-4-one
TL;DR: 2-(4-tert-Butylphenyl)-4H-3,1-benzoxazin-4-one (CAS 117145-55-8) is a chemical compound with molecular formula C18H17NO2 and molecular weight 279.12592 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-tert-butylphenyl)-3,1-benzoxazin-4-one
Also Known As: 2-(4-tert-Butylphenyl)-4H-3,1-benzoxazin-4-one, Maybridge3_005684, 2-(4-tert-butylphenyl)-3,1-benzoxazin-4-one, IDI1_017071, NCI60_027324
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H17NO2 |
| Molecular Weight | 279.12592 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.12592 Da |
| Heavy Atoms | 21 |
| Complexity | 427.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)O2 |
| InChIKey | INMWPCXDYPLTBA-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-tert-Butylphenyl)-4H-3,1-benzoxazin-4-one
Property Insights of 2-(4-tert-Butylphenyl)-4H-3,1-benzoxazin-4-one
The XLogP value of 4.6 indicates that 2-(4-tert-Butylphenyl)-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, 2-(4-tert-Butylphenyl)-4H-3,1-benzoxazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-tert-Butylphenyl)-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 2-(4-tert-Butylphenyl)-4H-3,1-benzoxazin-4-one?
The CAS number of 2-(4-tert-Butylphenyl)-4H-3,1-benzoxazin-4-one is 117145-55-8.
What is the molecular formula of 2-(4-tert-Butylphenyl)-4H-3,1-benzoxazin-4-one?
The molecular formula of 2-(4-tert-Butylphenyl)-4H-3,1-benzoxazin-4-one is C18H17NO2.
What is the molecular weight of 2-(4-tert-Butylphenyl)-4H-3,1-benzoxazin-4-one?
The molecular weight of 2-(4-tert-Butylphenyl)-4H-3,1-benzoxazin-4-one is 279.12592 g/mol.
Where can I buy 2-(4-tert-Butylphenyl)-4H-3,1-benzoxazin-4-one?
You can request a quote for 2-(4-tert-Butylphenyl)-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 2-(4-tert-Butylphenyl)-4H-3,1-benzoxazin-4-one?
Yes, CoreyChem provides custom synthesis services for 2-(4-tert-Butylphenyl)-4H-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.