TL;DR: 1H-Isoindole-1,3(2H)-dione, 2-(2-fluoro-5-methoxy-4-nitrophenyl)-4,5,6,7-tetrahydro- (CAS 134882-50-1) is a chemical compound with molecular formula C15H13FN2O5 and molecular weight 320.08084 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-fluoro-5-methoxy-4-nitrophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
Also Known As: 1H-Isoindole-1,3(2H)-dione, 2-(2-fluoro-5-methoxy-4-nitrophenyl)-4,5,6,7-tetrahydro-, 2-(2-fluoro-5-methoxy-4-nitro-phenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione, 2-(2-Fluoro-5-methoxy-4-nitrophenyl)-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione, 2-(2-fluoro-5-methoxy-4-nitrophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
| Molecular Formula | C15H13FN2O5 |
| Molecular Weight | 320.08084 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 92.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.08084 Da |
| Heavy Atoms | 23 |
| Complexity | 557.0 |
| SMILES | COC1=C(C=C(C(=C1)N2C(=O)C3=C(C2=O)CCCC3)F)[N+](=O)[O-] |
| InChIKey | CTVCPCRCHCOWQT-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Isoindole-1,3(2H)-dione, 2-(2-fluoro-5-methoxy-4-nitrophenyl)-4,5,6,7-tetrahydro-. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Isoindole-1,3(2H)-dione, 2-(2-fluoro-5-methoxy-4-nitrophenyl)-4,5,6,7-tetrahydro-. Following Lipinski's Rule of Five, 1H-Isoindole-1,3(2H)-dione, 2-(2-fluoro-5-methoxy-4-nitrophenyl)-4,5,6,7-tetrahydro- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-Isoindole-1,3(2H)-dione, 2-(2-fluoro-5-methoxy-4-nitrophenyl)-4,5,6,7-tetrahydro- is 134882-50-1.
The molecular formula of 1H-Isoindole-1,3(2H)-dione, 2-(2-fluoro-5-methoxy-4-nitrophenyl)-4,5,6,7-tetrahydro- is C15H13FN2O5.
The molecular weight of 1H-Isoindole-1,3(2H)-dione, 2-(2-fluoro-5-methoxy-4-nitrophenyl)-4,5,6,7-tetrahydro- is 320.08084 g/mol.
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