TL;DR: 2-[2-(3,4-Dichloro-phenyl)-ethyl]-octahydro-pyrrolo[1,2-a]pyrazine (CAS 150208-42-7) is a chemical compound with molecular formula C15H20Cl2N2 and molecular weight 298.10034 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8aS)-2-[2-(3,4-dichlorophenyl)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
Also Known As: BD 1018, J1.542.305F, 2-[2-(3,4-Dichloro-phenyl)-ethyl]-octahydro-pyrrolo[1,2-a]pyrazine, (8aS)-2-[2-(3,4-Dichlorophenyl)ethyl]octahydropyrrolo[1,2-a]pyrazine, (8aS)-2-(3,4-Dichlorophenethyl)octahydropyrrolo[1,2-a]pyrazine
| Molecular Formula | C15H20Cl2N2 |
| Molecular Weight | 298.10034 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.10034 Da |
| Heavy Atoms | 19 |
| Complexity | 300.0 |
| SMILES | C1C[C@H]2CN(CCN2C1)CCC3=CC(=C(C=C3)Cl)Cl |
| InChIKey | IGVDQXLOMXGWKN-ZDUSSCGKSA-N |
The XLogP value of 3.8 indicates that 2-[2-(3,4-Dichloro-phenyl)-ethyl]-octahydro-pyrrolo[1,2-a]pyrazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.5 Ų, 2-[2-(3,4-Dichloro-phenyl)-ethyl]-octahydro-pyrrolo[1,2-a]pyrazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[2-(3,4-Dichloro-phenyl)-ethyl]-octahydro-pyrrolo[1,2-a]pyrazine 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-(3,4-Dichloro-phenyl)-ethyl]-octahydro-pyrrolo[1,2-a]pyrazine is 150208-42-7.
The molecular formula of 2-[2-(3,4-Dichloro-phenyl)-ethyl]-octahydro-pyrrolo[1,2-a]pyrazine is C15H20Cl2N2.
The molecular weight of 2-[2-(3,4-Dichloro-phenyl)-ethyl]-octahydro-pyrrolo[1,2-a]pyrazine is 298.10034 g/mol.
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