3-(2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl)isobenzofuran-1(3H)-one
TL;DR: 3-(2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl)isobenzofuran-1(3H)-one (CAS 881446-59-9) is a chemical compound with molecular formula C19H18O6 and molecular weight 342.11035 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-3H-2-benzofuran-1-one
Also Known As: 3-(2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl)isobenzofuran-1(3H)-one, F1798-0177, 3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-3H-2-benzofuran-1-one, 3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-dihydro-2-benzofuran-1-one, 3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-1(3H)-isobenzofuranone
Technical Specifications
| Molecular Formula | C19H18O6 |
| Molecular Weight | 342.11035 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.11035 Da |
| Heavy Atoms | 25 |
| Complexity | 478.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)CC2C3=CC=CC=C3C(=O)O2 |
| InChIKey | CKYOOVXLKGXONH-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl)isobenzofuran-1(3H)-one
Property Insights of 3-(2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl)isobenzofuran-1(3H)-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl)isobenzofuran-1(3H)-one. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl)isobenzofuran-1(3H)-one. Following Lipinski's Rule of Five, 3-(2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl)isobenzofuran-1(3H)-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl)isobenzofuran-1(3H)-one?
The CAS number of 3-(2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl)isobenzofuran-1(3H)-one is 881446-59-9.
What is the molecular formula of 3-(2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl)isobenzofuran-1(3H)-one?
The molecular formula of 3-(2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl)isobenzofuran-1(3H)-one is C19H18O6.
What is the molecular weight of 3-(2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl)isobenzofuran-1(3H)-one?
The molecular weight of 3-(2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl)isobenzofuran-1(3H)-one is 342.11035 g/mol.
Where can I buy 3-(2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl)isobenzofuran-1(3H)-one?
You can request a quote for 3-(2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl)isobenzofuran-1(3H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl)isobenzofuran-1(3H)-one?
Yes, CoreyChem provides custom synthesis services for 3-(2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl)isobenzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.