![[3-(6-Bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl] acetate structure](/static/products/6550/6550-16-9.webp)
[3-(6-Bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl] acetate
TL;DR: [3-(6-Bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl] acetate (CAS 6550-16-9) is a chemical compound with molecular formula C16H10BrNO4 and molecular weight 358.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl] acetate
Also Known As: 3-(6-bromo-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate, [3-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl] acetate, 3-(6-bromo-4-oxo-4H-benzo[d][1,3]oxazin-2-yl)phenyl acetate
| Molecular Formula | C16H10BrNO4 |
|---|---|
| Molecular Weight | 358.98 g/mol |
| LogP | 3.5428 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 358.9793 |
| Heavy Atoms | 22 |
| Complexity | 932.82227 |
Chemical Identifiers
| CAS Number | 6550-16-9 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=O)O2 |
Product Overview
[3-(6-Bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl] acetate (CAS 6550-16-9), with molecular formula C16H10BrNO4 and molecular weight 358.98 g/mol. IUPAC: [3-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl] acetate.
Chemical Property Profile of [3-(6-Bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl] acetate
Property Insights of [3-(6-Bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl] acetate
The XLogP value of 3.5428 indicates that [3-(6-Bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl] acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-(6-Bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl] acetate. Following Lipinski's Rule of Five, [3-(6-Bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl] 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
Frequently Asked Questions
What is the CAS number of [3-(6-Bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl] acetate?
The CAS number of [3-(6-Bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl] acetate is 6550-16-9.
What is the molecular formula of [3-(6-Bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl] acetate?
The molecular formula of [3-(6-Bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl] acetate is C16H10BrNO4.
What is the molecular weight of [3-(6-Bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl] acetate?
The molecular weight of [3-(6-Bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl] acetate is 358.98 g/mol.
Where can I buy [3-(6-Bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl] acetate?
You can request a quote for [3-(6-Bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-(6-Bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [3-(6-Bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.