TL;DR: 2-(2,5-dichlorophenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione (CAS 1005281-29-7) is a chemical compound with molecular formula C15H15Cl2NO2 and molecular weight 311.04797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,5-dichlorophenyl)-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Also Known As: 2-(2,5-dichlorophenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione, 2-(2,5-dichlorophenyl)-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
| Molecular Formula | C15H15Cl2NO2 |
| Molecular Weight | 311.04797 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 311.04797 Da |
| Heavy Atoms | 20 |
| Complexity | 428.0 |
| SMILES | CC1CCC2C(C1)C(=O)N(C2=O)C3=C(C=CC(=C3)Cl)Cl |
| InChIKey | DJKDBXGAOQXFLV-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that 2-(2,5-dichlorophenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, 2-(2,5-dichlorophenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,5-dichlorophenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-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 2-(2,5-dichlorophenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione is 1005281-29-7.
The molecular formula of 2-(2,5-dichlorophenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione is C15H15Cl2NO2.
The molecular weight of 2-(2,5-dichlorophenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione is 311.04797 g/mol.
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