6-Bromo-3-phenyl-1,3-benzoxazine-2,4-dione
TL;DR: 6-Bromo-3-phenyl-1,3-benzoxazine-2,4-dione (CAS 153694-57-6) is a chemical compound with molecular formula C14H8BrNO3 and molecular weight 316.96875 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-bromo-3-phenyl-1,3-benzoxazine-2,4-dione
Also Known As: 6-bromo-3-phenyl-1,3-benzoxazine-2,4-dione, 3-Phenyl-2H-1,3-benzoxazine-2,4(3H)-dione, 2H-1,3-Benzoxazine-2,4(3H)-dione, 6-bromo-3-phenyl-, 2H-1,3-Benzoxazine-2,4(3H)-dione,6-bromo-3-phenyl, 6-Bromo-3-phenyl-2H-1,3-benzoxazine-2,4(3H)-dione
Technical Specifications
| Molecular Formula | C14H8BrNO3 |
| Molecular Weight | 316.96875 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.96875 Da |
| Heavy Atoms | 19 |
| Complexity | 381.0 |
| SMILES | C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Br)OC2=O |
| InChIKey | XHESMZIPFVGGCO-UHFFFAOYSA-N |
Chemical Property Profile of 6-Bromo-3-phenyl-1,3-benzoxazine-2,4-dione
Property Insights of 6-Bromo-3-phenyl-1,3-benzoxazine-2,4-dione
The XLogP value of 3.5 indicates that 6-Bromo-3-phenyl-1,3-benzoxazine-2,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, 6-Bromo-3-phenyl-1,3-benzoxazine-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Bromo-3-phenyl-1,3-benzoxazine-2,4-dione 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 6-Bromo-3-phenyl-1,3-benzoxazine-2,4-dione?
The CAS number of 6-Bromo-3-phenyl-1,3-benzoxazine-2,4-dione is 153694-57-6.
What is the molecular formula of 6-Bromo-3-phenyl-1,3-benzoxazine-2,4-dione?
The molecular formula of 6-Bromo-3-phenyl-1,3-benzoxazine-2,4-dione is C14H8BrNO3.
What is the molecular weight of 6-Bromo-3-phenyl-1,3-benzoxazine-2,4-dione?
The molecular weight of 6-Bromo-3-phenyl-1,3-benzoxazine-2,4-dione is 316.96875 g/mol.
Where can I buy 6-Bromo-3-phenyl-1,3-benzoxazine-2,4-dione?
You can request a quote for 6-Bromo-3-phenyl-1,3-benzoxazine-2,4-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Bromo-3-phenyl-1,3-benzoxazine-2,4-dione?
Yes, CoreyChem provides custom synthesis services for 6-Bromo-3-phenyl-1,3-benzoxazine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.