2H-1,4-benzoxazin-3(4H)-one
TL;DR: 2H-1,4-benzoxazin-3(4H)-one (CAS 5466-88-6) is a chemical compound with molecular formula C8H7NO2 and molecular weight 149.04768 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4H-1,4-benzoxazin-3-one
Also Known As: 2H-1,4-Benzoxazin-3(4H)-one, null, 4H-1,4-benzoxazin-3-one, 2H-1,4-Benzoxazin-3-one, benzoxazin-3-one
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H7NO2 |
| Molecular Weight | 149.04768 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 149.04768 Da |
| Heavy Atoms | 11 |
| Complexity | 169.0 |
| SMILES | C1C(=O)NC2=CC=CC=C2O1 |
| InChIKey | QRCGFTXRXYMJOS-UHFFFAOYSA-N |
Chemical Property Profile of 2H-1,4-benzoxazin-3(4H)-one
Property Insights of 2H-1,4-benzoxazin-3(4H)-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,4-benzoxazin-3(4H)-one. With a topological polar surface area (TPSA) of 38.3 Ų, 2H-1,4-benzoxazin-3(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,4-benzoxazin-3(4H)-one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2H-1,4-benzoxazin-3(4H)-one?
The CAS number of 2H-1,4-benzoxazin-3(4H)-one is 5466-88-6.
What is the molecular formula of 2H-1,4-benzoxazin-3(4H)-one?
The molecular formula of 2H-1,4-benzoxazin-3(4H)-one is C8H7NO2.
What is the molecular weight of 2H-1,4-benzoxazin-3(4H)-one?
The molecular weight of 2H-1,4-benzoxazin-3(4H)-one is 149.04768 g/mol.
Where can I buy 2H-1,4-benzoxazin-3(4H)-one?
You can request a quote for 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 2H-1,4-benzoxazin-3(4H)-one?
Yes, CoreyChem provides custom synthesis services for 2H-1,4-benzoxazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.