ethyl (6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate
TL;DR: ethyl (6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate (CAS 221225-71-4) is a chemical compound with molecular formula C13H15NO4 and molecular weight 249.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate
Also Known As: ethyl (6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate, J1.035.496J, ethyl 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate, Ethyl 2-(2,3-dihydro-6-methyl-3-oxobenzo[b][1,4]oxazin-4-yl)acetate, ETHYL 2-(6-METHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-4-YL)ACETATE
| Molecular Formula | C13H15NO4 |
|---|---|
| Molecular Weight | 249.10 g/mol |
| LogP | 1.28352 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.10011 |
| Heavy Atoms | 18 |
| Complexity | 483.87964 |
Chemical Identifiers
| CAS Number | 221225-71-4 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)COC2=C1C=C(C=C2)C |
Product Overview
ethyl (6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate (CAS 221225-71-4), with molecular formula C13H15NO4 and molecular weight 249.10 g/mol. IUPAC: ethyl 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate.
Chemical Property Profile of ethyl (6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate
Property Insights of ethyl (6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate
The XLogP value of 1.28352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate. With a topological polar surface area (TPSA) of 55.84 Ų, ethyl (6-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 (6-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
Frequently Asked Questions
What is the CAS number of ethyl (6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate?
The CAS number of ethyl (6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate is 221225-71-4.
What is the molecular formula of ethyl (6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate?
The molecular formula of ethyl (6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate is C13H15NO4.
What is the molecular weight of ethyl (6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate?
The molecular weight of ethyl (6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate is 249.10 g/mol.
Where can I buy ethyl (6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate?
You can request a quote for ethyl (6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (6-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.