Ethyl (2-oxo-2H-1,3-benzoxazin-3(4H)-yl)acetate
TL;DR: Ethyl (2-oxo-2H-1,3-benzoxazin-3(4H)-yl)acetate (CAS 23018-33-9) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-oxo-4H-1,3-benzoxazin-3-yl)acetate
Also Known As: Ethyl 2-oxo-2H-1,3-benzoxazine-3(4H)-acetate, ethyl 2-(2-oxo-4H-1,3-benzoxazin-3-yl)acetate, ethyl(2-oxo-2h-1,3-benzoxazin-3(4h)-yl)acetate, Ethyl 2-(2-oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)acetate, Ethyl 2-(2-oxo-3,4-dihydro-2h-1,3-benzoxazin-3-yl)acetate
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 23018-33-9 |
|---|---|
| SMILES | CCOC(=O)CN1CC2=CC=CC=C2OC1=O |
| InChIKey | AGILOUWCNJCUIT-UHFFFAOYSA-N |
Product Overview
Ethyl (2-oxo-2H-1,3-benzoxazin-3(4H)-yl)acetate (CAS 23018-33-9), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: ethyl 2-(2-oxo-4H-1,3-benzoxazin-3-yl)acetate.
Chemical Property Profile of Ethyl (2-oxo-2H-1,3-benzoxazin-3(4H)-yl)acetate
Property Insights of Ethyl (2-oxo-2H-1,3-benzoxazin-3(4H)-yl)acetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (2-oxo-2H-1,3-benzoxazin-3(4H)-yl)acetate. With a topological polar surface area (TPSA) of 55.8 Ų, Ethyl (2-oxo-2H-1,3-benzoxazin-3(4H)-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (2-oxo-2H-1,3-benzoxazin-3(4H)-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 (2-oxo-2H-1,3-benzoxazin-3(4H)-yl)acetate?
The CAS number of Ethyl (2-oxo-2H-1,3-benzoxazin-3(4H)-yl)acetate is 23018-33-9.
What is the molecular formula of Ethyl (2-oxo-2H-1,3-benzoxazin-3(4H)-yl)acetate?
The molecular formula of Ethyl (2-oxo-2H-1,3-benzoxazin-3(4H)-yl)acetate is C12H13NO4.
What is the molecular weight of Ethyl (2-oxo-2H-1,3-benzoxazin-3(4H)-yl)acetate?
The molecular weight of Ethyl (2-oxo-2H-1,3-benzoxazin-3(4H)-yl)acetate is 235.08 g/mol.
Where can I buy Ethyl (2-oxo-2H-1,3-benzoxazin-3(4H)-yl)acetate?
You can request a quote for Ethyl (2-oxo-2H-1,3-benzoxazin-3(4H)-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 (2-oxo-2H-1,3-benzoxazin-3(4H)-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (2-oxo-2H-1,3-benzoxazin-3(4H)-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.