2-(1-Bromoethyl)-3,1-benzoxazin-4-one
TL;DR: 2-(1-Bromoethyl)-3,1-benzoxazin-4-one (CAS 154313-70-9) is a chemical compound with molecular formula C10H8BrNO2 and molecular weight 252.97385 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1-bromoethyl)-3,1-benzoxazin-4-one
Also Known As: 2-(1-bromoethyl)-3,1-benzoxazin-4-one, 2-(1-bromoethyl)-4H-3,1-benzoxazin-4-one, AP-015/15620014
Technical Specifications
| Molecular Formula | C10H8BrNO2 |
| Molecular Weight | 252.97385 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.97385 Da |
| Heavy Atoms | 14 |
| Complexity | 277.0 |
| SMILES | CC(C1=NC2=CC=CC=C2C(=O)O1)Br |
| InChIKey | AYNLROKLYRAIOG-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1-Bromoethyl)-3,1-benzoxazin-4-one
Property Insights of 2-(1-Bromoethyl)-3,1-benzoxazin-4-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Bromoethyl)-3,1-benzoxazin-4-one. With a topological polar surface area (TPSA) of 38.7 Ų, 2-(1-Bromoethyl)-3,1-benzoxazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Bromoethyl)-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-(1-Bromoethyl)-3,1-benzoxazin-4-one?
The CAS number of 2-(1-Bromoethyl)-3,1-benzoxazin-4-one is 154313-70-9.
What is the molecular formula of 2-(1-Bromoethyl)-3,1-benzoxazin-4-one?
The molecular formula of 2-(1-Bromoethyl)-3,1-benzoxazin-4-one is C10H8BrNO2.
What is the molecular weight of 2-(1-Bromoethyl)-3,1-benzoxazin-4-one?
The molecular weight of 2-(1-Bromoethyl)-3,1-benzoxazin-4-one is 252.97385 g/mol.
Where can I buy 2-(1-Bromoethyl)-3,1-benzoxazin-4-one?
You can request a quote for 2-(1-Bromoethyl)-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-(1-Bromoethyl)-3,1-benzoxazin-4-one?
Yes, CoreyChem provides custom synthesis services for 2-(1-Bromoethyl)-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.