TL;DR: 2-(3,4-dichlorophenyl)-5-phenylhexahydro-1H-isoindole-1,3(2H)-dione (CAS 1005047-05-1) is a chemical compound with molecular formula C20H17Cl2NO2 and molecular weight 373.06363 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3,4-dichlorophenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Also Known As: 2-(3,4-dichlorophenyl)-5-phenylhexahydro-1H-isoindole-1,3(2H)-dione, 2-(3,4-Dichlorophenyl)hexahydro-5-phenyl-1H-isoindole-1,3(2H)-dione, 1H-Isoindole-1,3(2H)-dione, 2-(3,4-dichlorophenyl)hexahydro-5-phenyl-, 2-(3,4-dichlorophenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
| Molecular Formula | C20H17Cl2NO2 |
| Molecular Weight | 373.06363 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 373.06363 Da |
| Heavy Atoms | 25 |
| Complexity | 534.0 |
| SMILES | C1CC2C(CC1C3=CC=CC=C3)C(=O)N(C2=O)C4=CC(=C(C=C4)Cl)Cl |
| InChIKey | COXAAIGTNDLOER-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that 2-(3,4-dichlorophenyl)-5-phenylhexahydro-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-(3,4-dichlorophenyl)-5-phenylhexahydro-1H-isoindole-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,4-dichlorophenyl)-5-phenylhexahydro-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-(3,4-dichlorophenyl)-5-phenylhexahydro-1H-isoindole-1,3(2H)-dione is 1005047-05-1.
The molecular formula of 2-(3,4-dichlorophenyl)-5-phenylhexahydro-1H-isoindole-1,3(2H)-dione is C20H17Cl2NO2.
The molecular weight of 2-(3,4-dichlorophenyl)-5-phenylhexahydro-1H-isoindole-1,3(2H)-dione is 373.06363 g/mol.
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