TL;DR: [4-(4-methoxyphenyl)piperazin-1-yl](6-phenyl-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridin-2-yl)methanone (CAS 1005069-13-5) is a chemical compound with molecular formula C32H35N3O2 and molecular weight 493.27292 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(4-methoxyphenyl)piperazin-1-yl]-(10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-5-yl)methanone
Also Known As: [4-(4-methoxyphenyl)piperazin-1-yl](6-phenyl-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridin-2-yl)methanone|(4-(4-methoxyphenyl)piperazin-1-yl)(6-phenyl-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridin-2-yl)methanone|STK183624
| Molecular Formula | C32H35N3O2 |
| Molecular Weight | 493.27292 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 493.27292 Da |
| Heavy Atoms | 37 |
| Complexity | 798.0 |
| SMILES | COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)NC(C5C4C6CCC5C6)C7=CC=CC=C7 |
| InChIKey | NATSMZNMWIDBHL-UHFFFAOYSA-N |
The XLogP value of 6.2 indicates that [4-(4-methoxyphenyl)piperazin-1-yl](6-phenyl-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridin-2-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, [4-(4-methoxyphenyl)piperazin-1-yl](6-phenyl-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridin-2-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [4-(4-methoxyphenyl)piperazin-1-yl](6-phenyl-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridin-2-yl)methanone has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of [4-(4-methoxyphenyl)piperazin-1-yl](6-phenyl-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridin-2-yl)methanone is 1005069-13-5.
The molecular formula of [4-(4-methoxyphenyl)piperazin-1-yl](6-phenyl-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridin-2-yl)methanone is C32H35N3O2.
The molecular weight of [4-(4-methoxyphenyl)piperazin-1-yl](6-phenyl-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridin-2-yl)methanone is 493.27292 g/mol.
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