TL;DR: 2-(2-((2-Furanylmethyl)sulfinyl)ethyl)-1H-isoindole-1,3(2H)-dione (CAS 121161-70-4) is a chemical compound with molecular formula C15H13NO4S and molecular weight 303.05652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(furan-2-ylmethylsulfinyl)ethyl]isoindole-1,3-dione
Also Known As: 2-(2-((2-Furanylmethyl)sulfinyl)ethyl)-1H-isoindole-1,3(2H)-dione, 2-[2-(furan-2-ylmethylsulfinyl)ethyl]isoindole-1,3-dione, 2-(2-((FURAN-2-YLMETHYL)SULFINYL)ETHYL)-1H-ISOINDOLE-1,3(2H)-DIONE, 1H-Isoindole-1,3(2H)-dione,2-[2-[(2-furanylmethyl)sulfinyl]ethyl]-, 2-{2-[(Furan-2-yl)methanesulfinyl]ethyl}-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C15H13NO4S |
| Molecular Weight | 303.05652 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 86.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.05652 Da |
| Heavy Atoms | 21 |
| Complexity | 429.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCS(=O)CC3=CC=CO3 |
| InChIKey | ZSEKWQMTVIYDAO-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-((2-Furanylmethyl)sulfinyl)ethyl)-1H-isoindole-1,3(2H)-dione. The TPSA of 86.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-((2-Furanylmethyl)sulfinyl)ethyl)-1H-isoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-(2-((2-Furanylmethyl)sulfinyl)ethyl)-1H-isoindole-1,3(2H)-dione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(2-((2-Furanylmethyl)sulfinyl)ethyl)-1H-isoindole-1,3(2H)-dione is 121161-70-4.
The molecular formula of 2-(2-((2-Furanylmethyl)sulfinyl)ethyl)-1H-isoindole-1,3(2H)-dione is C15H13NO4S.
The molecular weight of 2-(2-((2-Furanylmethyl)sulfinyl)ethyl)-1H-isoindole-1,3(2H)-dione is 303.05652 g/mol.
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