TL;DR: 1-(2,3-Dimethylphenyl)-1H-pyrrole-2,5-dione (CAS 31581-09-6) is a chemical compound with molecular formula C12H11NO2 and molecular weight 201.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,3-dimethylphenyl)pyrrole-2,5-dione
Also Known As: 1-(2,3-Dimethylphenyl)-1H-pyrrole-2,5-dione, N-2,3-Xylylmaleimide, Z-D-Ala-Gly-OH, Maleimide, N-2,3-xylyl-, n-(2,3-xylyl)maleimide
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H11NO2 |
| Molecular Weight | 201.07898 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.07898 Da |
| Heavy Atoms | 15 |
| Complexity | 304.0 |
| SMILES | CC1=C(C(=CC=C1)N2C(=O)C=CC2=O)C |
| InChIKey | UOZNXGJVAWDLQK-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,3-Dimethylphenyl)-1H-pyrrole-2,5-dione. With a topological polar surface area (TPSA) of 37.4 Ų, 1-(2,3-Dimethylphenyl)-1H-pyrrole-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,3-Dimethylphenyl)-1H-pyrrole-2,5-dione has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(2,3-Dimethylphenyl)-1H-pyrrole-2,5-dione is 31581-09-6.
The molecular formula of 1-(2,3-Dimethylphenyl)-1H-pyrrole-2,5-dione is C12H11NO2.
The molecular weight of 1-(2,3-Dimethylphenyl)-1H-pyrrole-2,5-dione is 201.07898 g/mol.
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