ethyl 2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate
TL;DR: ethyl 2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate (CAS 139605-39-3) is a chemical compound with molecular formula C13H15NO4 and molecular weight 249.10011 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate
Also Known As: BAS 07153596, ethyl 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate, ethyl 2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate, ethyl 2-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetate, ethyl 2-(2-methyl-3-oxo-2H-1,4-benzoxazin-4-yl)acetate
Technical Specifications
| Molecular Formula | C13H15NO4 |
| Molecular Weight | 249.10011 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.10011 Da |
| Heavy Atoms | 18 |
| Complexity | 331.0 |
| SMILES | CCOC(=O)CN1C2=CC=CC=C2OC(C1=O)C |
| InChIKey | QDAFKNSISJMJQE-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate
Property Insights of ethyl 2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate. With a topological polar surface area (TPSA) of 55.8 Ų, ethyl 2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ethyl 2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate?
The CAS number of ethyl 2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate is 139605-39-3.
What is the molecular formula of ethyl 2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate?
The molecular formula of ethyl 2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate is C13H15NO4.
What is the molecular weight of ethyl 2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate?
The molecular weight of ethyl 2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate is 249.10011 g/mol.
Where can I buy ethyl 2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate?
You can request a quote for ethyl 2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate?
Yes, CoreyChem provides custom synthesis services for ethyl 2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.