TL;DR: 3-(1-methyl-1H-indol-3-yl)-4-(thiophen-2-yl)-2,5-dihydro-1H-pyrrole-2,5-dione (CAS 125314-10-5) is a chemical compound with molecular formula C17H12N2O2S and molecular weight 308.06195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1-methylindol-3-yl)-4-thiophen-2-ylpyrrole-2,5-dione
Also Known As: (Arylindolyl)maleimide deriv. 26, 3-(1-methylindol-3-yl)-4-thiophen-2-ylpyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-(thiophen-2-yl)-2,5-dihydro-1H-pyrrole-2,5-dione, 3-(2-Thienyl)-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-(thiophen-2-yl)-1H-pyrrole-2,5-dione
| Molecular Formula | C17H12N2O2S |
| Molecular Weight | 308.06195 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 79.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.06195 Da |
| Heavy Atoms | 22 |
| Complexity | 545.0 |
| SMILES | CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC=CS4 |
| InChIKey | SHHFWYXUKQGJFE-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-methyl-1H-indol-3-yl)-4-(thiophen-2-yl)-2,5-dihydro-1H-pyrrole-2,5-dione. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1-methyl-1H-indol-3-yl)-4-(thiophen-2-yl)-2,5-dihydro-1H-pyrrole-2,5-dione. Following Lipinski's Rule of Five, 3-(1-methyl-1H-indol-3-yl)-4-(thiophen-2-yl)-2,5-dihydro-1H-pyrrole-2,5-dione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(1-methyl-1H-indol-3-yl)-4-(thiophen-2-yl)-2,5-dihydro-1H-pyrrole-2,5-dione is 125314-10-5.
The molecular formula of 3-(1-methyl-1H-indol-3-yl)-4-(thiophen-2-yl)-2,5-dihydro-1H-pyrrole-2,5-dione is C17H12N2O2S.
The molecular weight of 3-(1-methyl-1H-indol-3-yl)-4-(thiophen-2-yl)-2,5-dihydro-1H-pyrrole-2,5-dione is 308.06195 g/mol.
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