2-(4-bromophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate
TL;DR: 2-(4-bromophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate (CAS 426216-46-8) is a chemical compound with molecular formula C16H10BrNO4 and molecular weight 358.9793 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(4-bromophenyl)-4-oxo-3,1-benzoxazin-6-yl] acetate
Also Known As: 2-(4-bromophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate, 2-(4-bromophenyl)-4-oxo-4H-benzo[d][1,3]oxazin-6-yl acetate, [2-(4-bromophenyl)-4-oxo-3,1-benzoxazin-6-yl] acetate
Technical Specifications
| Molecular Formula | C16H10BrNO4 |
| Molecular Weight | 358.9793 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 65.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.9793 Da |
| Heavy Atoms | 22 |
| Complexity | 485.0 |
| SMILES | CC(=O)OC1=CC2=C(C=C1)N=C(OC2=O)C3=CC=C(C=C3)Br |
| InChIKey | UYJXHWKOZWNYKI-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-bromophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate
Property Insights of 2-(4-bromophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate
The XLogP value of 3.4 indicates that 2-(4-bromophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-bromophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate. Following Lipinski's Rule of Five, 2-(4-bromophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate has 0 hydrogen bond donor(s) and 5 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-bromophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate?
The CAS number of 2-(4-bromophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate is 426216-46-8.
What is the molecular formula of 2-(4-bromophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate?
The molecular formula of 2-(4-bromophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate is C16H10BrNO4.
What is the molecular weight of 2-(4-bromophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate?
The molecular weight of 2-(4-bromophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate is 358.9793 g/mol.
Where can I buy 2-(4-bromophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate?
You can request a quote for 2-(4-bromophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-bromophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate?
Yes, CoreyChem provides custom synthesis services for 2-(4-bromophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.