TL;DR: 2-[(4-Methoxyanilino)methyl]isoindole-1,3-dione (CAS 7506-37-8) is a chemical compound with molecular formula C16H14N2O3 and molecular weight 282.10043 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-methoxyanilino)methyl]isoindole-1,3-dione
Also Known As: 2-[(4-methoxyanilino)methyl]isoindole-1,3-dione, UPCMLD0ENAT5950883:001, BAS 00084813, 2-(((4-methoxyphenyl)amino)methyl)isoindoline-1,3-dione, F0777-0692
| Molecular Formula | C16H14N2O3 |
| Molecular Weight | 282.10043 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.10043 Da |
| Heavy Atoms | 21 |
| Complexity | 380.0 |
| SMILES | COC1=CC=C(C=C1)NCN2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | NBPCFJQUQFKOHN-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 2-[(4-Methoxyanilino)methyl]isoindole-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, 2-[(4-Methoxyanilino)methyl]isoindole-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Methoxyanilino)methyl]isoindole-1,3-dione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[(4-Methoxyanilino)methyl]isoindole-1,3-dione is 7506-37-8.
The molecular formula of 2-[(4-Methoxyanilino)methyl]isoindole-1,3-dione is C16H14N2O3.
The molecular weight of 2-[(4-Methoxyanilino)methyl]isoindole-1,3-dione is 282.10043 g/mol.
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