2-Hydroxy-2-(trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one
TL;DR: 2-Hydroxy-2-(trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one (CAS 106240-01-1) is a chemical compound with molecular formula C9H6F3NO3 and molecular weight 233.02998 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxy-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one
Also Known As: 2-Hydroxy-2-(trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one, 2-hydroxy-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one, AE-848/30695034, 2-hydroxy-2-trifluoromethyl-2,3H-1,4-benzoxazinone-3, 2-Hydroxy-2-trifluoromethyl-4H-benzo[1,4]oxazin-3-one
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H6F3NO3 |
| Molecular Weight | 233.02998 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 233.02998 Da |
| Heavy Atoms | 16 |
| Complexity | 307.0 |
| SMILES | C1=CC=C2C(=C1)NC(=O)C(O2)(C(F)(F)F)O |
| InChIKey | QDPPYJJMUMSMIL-UHFFFAOYSA-N |
Chemical Property Profile of 2-Hydroxy-2-(trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one
Property Insights of 2-Hydroxy-2-(trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-2-(trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one. With a topological polar surface area (TPSA) of 58.6 Ų, 2-Hydroxy-2-(trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxy-2-(trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one has 2 hydrogen bond donor(s) and 6 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-Hydroxy-2-(trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one?
The CAS number of 2-Hydroxy-2-(trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one is 106240-01-1.
What is the molecular formula of 2-Hydroxy-2-(trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one?
The molecular formula of 2-Hydroxy-2-(trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one is C9H6F3NO3.
What is the molecular weight of 2-Hydroxy-2-(trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one?
The molecular weight of 2-Hydroxy-2-(trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one is 233.02998 g/mol.
Where can I buy 2-Hydroxy-2-(trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one?
You can request a quote for 2-Hydroxy-2-(trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Hydroxy-2-(trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one?
Yes, CoreyChem provides custom synthesis services for 2-Hydroxy-2-(trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.