4-Ethyl-2-benzofuran-1,3-dione
TL;DR: 4-Ethyl-2-benzofuran-1,3-dione (CAS 102539-99-1) is a chemical compound with molecular formula C10H8O3 and molecular weight 176.04735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-ethyl-2-benzofuran-1,3-dione
Also Known As: 3-ethylphthalic anhydride, 4-ethyl-2-benzofuran-1,3-dione, 4-Ethylisobenzofuran-1,3-dione, 1,3-Isobenzofurandione,4-ethyl-(9CI), 1,3-Isobenzofurandione, 4-ethyl-
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H8O3 |
| Molecular Weight | 176.04735 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.04735 Da |
| Heavy Atoms | 13 |
| Complexity | 247.0 |
| SMILES | CCC1=C2C(=CC=C1)C(=O)OC2=O |
| InChIKey | LIVHSQMNQCENSI-UHFFFAOYSA-N |
Chemical Property Profile of 4-Ethyl-2-benzofuran-1,3-dione
Property Insights of 4-Ethyl-2-benzofuran-1,3-dione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethyl-2-benzofuran-1,3-dione. With a topological polar surface area (TPSA) of 43.4 Ų, 4-Ethyl-2-benzofuran-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethyl-2-benzofuran-1,3-dione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Ethyl-2-benzofuran-1,3-dione?
The CAS number of 4-Ethyl-2-benzofuran-1,3-dione is 102539-99-1.
What is the molecular formula of 4-Ethyl-2-benzofuran-1,3-dione?
The molecular formula of 4-Ethyl-2-benzofuran-1,3-dione is C10H8O3.
What is the molecular weight of 4-Ethyl-2-benzofuran-1,3-dione?
The molecular weight of 4-Ethyl-2-benzofuran-1,3-dione is 176.04735 g/mol.
Where can I buy 4-Ethyl-2-benzofuran-1,3-dione?
You can request a quote for 4-Ethyl-2-benzofuran-1,3-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Ethyl-2-benzofuran-1,3-dione?
Yes, CoreyChem provides custom synthesis services for 4-Ethyl-2-benzofuran-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.