3-(2-Oxo-2-(thiophen-2-yl)ethyl)isobenzofuran-1(3H)-one
TL;DR: 3-(2-Oxo-2-(thiophen-2-yl)ethyl)isobenzofuran-1(3H)-one (CAS 155445-97-9) is a chemical compound with molecular formula C14H10O3S and molecular weight 258.03506 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-oxo-2-thiophen-2-ylethyl)-3H-2-benzofuran-1-one
Also Known As: 3-(2-Oxo-2-(thiophen-2-yl)ethyl)isobenzofuran-1(3H)-one, J3.705.458E, 2-(3-phthalideyl)-1-(2-thienyl)-1-ethanone, 3-[2-oxo-2-(2-thienyl)ethyl]-3H-isobenzofuran-1-one, 3-(2-oxo-2-thiophen-2-ylethyl)-3H-2-benzofuran-1-one
Technical Specifications
| Molecular Formula | C14H10O3S |
| Molecular Weight | 258.03506 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 71.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.03506 Da |
| Heavy Atoms | 18 |
| Complexity | 355.0 |
| SMILES | C1=CC=C2C(=C1)C(OC2=O)CC(=O)C3=CC=CS3 |
| InChIKey | OZRMXRUQEGDLEU-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-Oxo-2-(thiophen-2-yl)ethyl)isobenzofuran-1(3H)-one
Property Insights of 3-(2-Oxo-2-(thiophen-2-yl)ethyl)isobenzofuran-1(3H)-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Oxo-2-(thiophen-2-yl)ethyl)isobenzofuran-1(3H)-one. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Oxo-2-(thiophen-2-yl)ethyl)isobenzofuran-1(3H)-one. Following Lipinski's Rule of Five, 3-(2-Oxo-2-(thiophen-2-yl)ethyl)isobenzofuran-1(3H)-one 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
What is the CAS number of 3-(2-Oxo-2-(thiophen-2-yl)ethyl)isobenzofuran-1(3H)-one?
The CAS number of 3-(2-Oxo-2-(thiophen-2-yl)ethyl)isobenzofuran-1(3H)-one is 155445-97-9.
What is the molecular formula of 3-(2-Oxo-2-(thiophen-2-yl)ethyl)isobenzofuran-1(3H)-one?
The molecular formula of 3-(2-Oxo-2-(thiophen-2-yl)ethyl)isobenzofuran-1(3H)-one is C14H10O3S.
What is the molecular weight of 3-(2-Oxo-2-(thiophen-2-yl)ethyl)isobenzofuran-1(3H)-one?
The molecular weight of 3-(2-Oxo-2-(thiophen-2-yl)ethyl)isobenzofuran-1(3H)-one is 258.03506 g/mol.
Where can I buy 3-(2-Oxo-2-(thiophen-2-yl)ethyl)isobenzofuran-1(3H)-one?
You can request a quote for 3-(2-Oxo-2-(thiophen-2-yl)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-(thiophen-2-yl)ethyl)isobenzofuran-1(3H)-one?
Yes, CoreyChem provides custom synthesis services for 3-(2-Oxo-2-(thiophen-2-yl)ethyl)isobenzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.