ethyl (2E)-3-oxo-2-(3-oxo-2-benzofuran-1(3H)-ylidene)butanoate
TL;DR: ethyl (2E)-3-oxo-2-(3-oxo-2-benzofuran-1(3H)-ylidene)butanoate (CAS 1164509-62-9) is a chemical compound with molecular formula C14H12O5 and molecular weight 260.06848 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (2E)-3-oxo-2-(3-oxo-2-benzofuran-1-ylidene)butanoate
Also Known As: BAS 00342782, ethyl (2E)-3-oxo-2-(3-oxo-2-benzofuran-1(3H)-ylidene)butanoate, J2.980.689F, 3-Oxo-2-(3-oxo-3H-isobenzofuran-1-ylidene)-butyric acid ethyl ester, ethyl (2E)-3-oxo-2-(3-oxo-2-benzofuran-1-ylidene)butanoate
Technical Specifications
| Molecular Formula | C14H12O5 |
| Molecular Weight | 260.06848 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.06848 Da |
| Heavy Atoms | 19 |
| Complexity | 449.0 |
| SMILES | CCOC(=O)/C(=C/1\C2=CC=CC=C2C(=O)O1)/C(=O)C |
| InChIKey | PDPRWZQOTIGGHM-VAWYXSNFSA-N |
Chemical Property Profile of ethyl (2E)-3-oxo-2-(3-oxo-2-benzofuran-1(3H)-ylidene)butanoate
Property Insights of ethyl (2E)-3-oxo-2-(3-oxo-2-benzofuran-1(3H)-ylidene)butanoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2E)-3-oxo-2-(3-oxo-2-benzofuran-1(3H)-ylidene)butanoate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2E)-3-oxo-2-(3-oxo-2-benzofuran-1(3H)-ylidene)butanoate. Following Lipinski's Rule of Five, ethyl (2E)-3-oxo-2-(3-oxo-2-benzofuran-1(3H)-ylidene)butanoate 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
What is the CAS number of ethyl (2E)-3-oxo-2-(3-oxo-2-benzofuran-1(3H)-ylidene)butanoate?
The CAS number of ethyl (2E)-3-oxo-2-(3-oxo-2-benzofuran-1(3H)-ylidene)butanoate is 1164509-62-9.
What is the molecular formula of ethyl (2E)-3-oxo-2-(3-oxo-2-benzofuran-1(3H)-ylidene)butanoate?
The molecular formula of ethyl (2E)-3-oxo-2-(3-oxo-2-benzofuran-1(3H)-ylidene)butanoate is C14H12O5.
What is the molecular weight of ethyl (2E)-3-oxo-2-(3-oxo-2-benzofuran-1(3H)-ylidene)butanoate?
The molecular weight of ethyl (2E)-3-oxo-2-(3-oxo-2-benzofuran-1(3H)-ylidene)butanoate is 260.06848 g/mol.
Where can I buy ethyl (2E)-3-oxo-2-(3-oxo-2-benzofuran-1(3H)-ylidene)butanoate?
You can request a quote for ethyl (2E)-3-oxo-2-(3-oxo-2-benzofuran-1(3H)-ylidene)butanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl (2E)-3-oxo-2-(3-oxo-2-benzofuran-1(3H)-ylidene)butanoate?
Yes, CoreyChem provides custom synthesis services for ethyl (2E)-3-oxo-2-(3-oxo-2-benzofuran-1(3H)-ylidene)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.