TL;DR: 2-(2,3-dichlorophenyl)-4-(4-methylbenzoyl)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizine-1,3-dione (CAS 1024214-86-5) is a chemical compound with molecular formula C23H20Cl2N2O3 and molecular weight 442.08508 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,3-dichlorophenyl)-4-(4-methylbenzoyl)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizine-1,3-dione
Also Known As: 2-(2,3-dichlorophenyl)-4-(4-methylbenzoyl)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizine-1,3-dione, 2-(2,3-dichlorophenyl)-4-(4-methylbenzoyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,8bH)-dione, 2-(2,3-dichlorophenyl)-4-[(4-methylphenyl)carbonyl]hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione
| Molecular Formula | C23H20Cl2N2O3 |
| Molecular Weight | 442.08508 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 442.08508 Da |
| Heavy Atoms | 30 |
| Complexity | 738.0 |
| SMILES | CC1=CC=C(C=C1)C(=O)C2C3C(C4N2CCC4)C(=O)N(C3=O)C5=C(C(=CC=C5)Cl)Cl |
| InChIKey | UZPHINACJLIIRP-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that 2-(2,3-dichlorophenyl)-4-(4-methylbenzoyl)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizine-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.7 Ų, 2-(2,3-dichlorophenyl)-4-(4-methylbenzoyl)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizine-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,3-dichlorophenyl)-4-(4-methylbenzoyl)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizine-1,3-dione has 0 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-(2,3-dichlorophenyl)-4-(4-methylbenzoyl)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizine-1,3-dione is 1024214-86-5.
The molecular formula of 2-(2,3-dichlorophenyl)-4-(4-methylbenzoyl)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizine-1,3-dione is C23H20Cl2N2O3.
The molecular weight of 2-(2,3-dichlorophenyl)-4-(4-methylbenzoyl)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizine-1,3-dione is 442.08508 g/mol.
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