1(3H)-Isobenzofuranone, 3-(2-thienyl)-
TL;DR: 1(3H)-Isobenzofuranone, 3-(2-thienyl)- (CAS 147437-99-8) is a chemical compound with molecular formula C12H8O2S and molecular weight 216.0245 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-thiophen-2-yl-3H-2-benzofuran-1-one
Also Known As: 3-(2-Thienyl)phthalide, 3-thiophen-2-yl-3H-2-benzofuran-1-one, 1(3H)-Isobenzofuranone, 3-(2-thienyl)-, 3-(thiophen-2-yl)isobenzofuran-1(3H)-one, 3-Thiophen-2-yl-3H-isobenzofuran-1-one
Technical Specifications
| Molecular Formula | C12H8O2S |
| Molecular Weight | 216.0245 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.0245 Da |
| Heavy Atoms | 15 |
| Complexity | 266.0 |
| SMILES | C1=CC=C2C(=C1)C(OC2=O)C3=CC=CS3 |
| InChIKey | JXGGVKILPREQLK-UHFFFAOYSA-N |
Chemical Property Profile of 1(3H)-Isobenzofuranone, 3-(2-thienyl)-
Property Insights of 1(3H)-Isobenzofuranone, 3-(2-thienyl)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1(3H)-Isobenzofuranone, 3-(2-thienyl)-. With a topological polar surface area (TPSA) of 54.5 Ų, 1(3H)-Isobenzofuranone, 3-(2-thienyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(3H)-Isobenzofuranone, 3-(2-thienyl)- 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 1(3H)-Isobenzofuranone, 3-(2-thienyl)-?
The CAS number of 1(3H)-Isobenzofuranone, 3-(2-thienyl)- is 147437-99-8.
What is the molecular formula of 1(3H)-Isobenzofuranone, 3-(2-thienyl)-?
The molecular formula of 1(3H)-Isobenzofuranone, 3-(2-thienyl)- is C12H8O2S.
What is the molecular weight of 1(3H)-Isobenzofuranone, 3-(2-thienyl)-?
The molecular weight of 1(3H)-Isobenzofuranone, 3-(2-thienyl)- is 216.0245 g/mol.
Where can I buy 1(3H)-Isobenzofuranone, 3-(2-thienyl)-?
You can request a quote for 1(3H)-Isobenzofuranone, 3-(2-thienyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1(3H)-Isobenzofuranone, 3-(2-thienyl)-?
Yes, CoreyChem provides custom synthesis services for 1(3H)-Isobenzofuranone, 3-(2-thienyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.