2H-1,4-Benzoxazin-3(4H)-one, 4-(2-oxo-2-phenylethyl)-
TL;DR: 2H-1,4-Benzoxazin-3(4H)-one, 4-(2-oxo-2-phenylethyl)- (CAS 105492-43-1) is a chemical compound with molecular formula C16H13NO3 and molecular weight 267.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-phenacyl-1,4-benzoxazin-3-one
Also Known As: 4-phenacyl-1,4-benzoxazin-3-one, BAS 07153600, 2H-1,4-Benzoxazin-3(4H)-one, 4-(2-oxo-2-phenylethyl)-, 5-methoxy-3-phenylindole-2-carboxyhydrazide, 4-(Benzoylmethyl)-2H-1,4-benzoxazin-3-one
Technical Specifications
| Molecular Formula | C16H13NO3 |
| Molecular Weight | 267.08954 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.08954 Da |
| Heavy Atoms | 20 |
| Complexity | 376.0 |
| SMILES | C1C(=O)N(C2=CC=CC=C2O1)CC(=O)C3=CC=CC=C3 |
| InChIKey | KRVPFBZHTHRFCO-UHFFFAOYSA-N |
Chemical Property Profile of 2H-1,4-Benzoxazin-3(4H)-one, 4-(2-oxo-2-phenylethyl)-
Property Insights of 2H-1,4-Benzoxazin-3(4H)-one, 4-(2-oxo-2-phenylethyl)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,4-Benzoxazin-3(4H)-one, 4-(2-oxo-2-phenylethyl)-. With a topological polar surface area (TPSA) of 46.6 Ų, 2H-1,4-Benzoxazin-3(4H)-one, 4-(2-oxo-2-phenylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,4-Benzoxazin-3(4H)-one, 4-(2-oxo-2-phenylethyl)- 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 2H-1,4-Benzoxazin-3(4H)-one, 4-(2-oxo-2-phenylethyl)-?
The CAS number of 2H-1,4-Benzoxazin-3(4H)-one, 4-(2-oxo-2-phenylethyl)- is 105492-43-1.
What is the molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 4-(2-oxo-2-phenylethyl)-?
The molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 4-(2-oxo-2-phenylethyl)- is C16H13NO3.
What is the molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 4-(2-oxo-2-phenylethyl)-?
The molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 4-(2-oxo-2-phenylethyl)- is 267.08954 g/mol.
Where can I buy 2H-1,4-Benzoxazin-3(4H)-one, 4-(2-oxo-2-phenylethyl)-?
You can request a quote for 2H-1,4-Benzoxazin-3(4H)-one, 4-(2-oxo-2-phenylethyl)- 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, 4-(2-oxo-2-phenylethyl)-?
Yes, CoreyChem provides custom synthesis services for 2H-1,4-Benzoxazin-3(4H)-one, 4-(2-oxo-2-phenylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.