2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate
TL;DR: 2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate (CAS 117979-60-9) is a chemical compound with molecular formula C16H11NO4 and molecular weight 281.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl] acetate
Also Known As: 2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate, [2-(4-oxo-3,1-benzoxazin-2-yl)phenyl] acetate, 2-(4-oxobenzo[d]1,3-oxazin-2-yl)phenyl acetate, acetic acid 2-(4-oxo-4H-benzo[d][1,3]oxazin-2-yl)-phenyl ester
| Molecular Formula | C16H11NO4 |
|---|---|
| Molecular Weight | 281.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.06882 |
| Heavy Atoms | 21 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 117979-60-9 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C2=NC3=CC=CC=C3C(=O)O2 |
| InChIKey | JTTVCKNIEKOLDT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate (CAS 117979-60-9), with molecular formula C16H11NO4 and molecular weight 281.07 g/mol. IUPAC: [2-(4-oxo-3,1-benzoxazin-2-yl)phenyl] acetate.
Chemical Property Profile of 2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate
Property Insights of 2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate. Following Lipinski's Rule of Five, 2-(4-oxo-4H-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 2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate?
The CAS number of 2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate is 117979-60-9.
What is the molecular formula of 2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate?
The molecular formula of 2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate is C16H11NO4.
What is the molecular weight of 2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate?
The molecular weight of 2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate is 281.07 g/mol.
Where can I buy 2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate?
You can request a quote for 2-(4-oxo-4H-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 2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.