TL;DR: 5-Methoxy-3-{4-[4-(4-methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole (CAS 133109-86-1) is a chemical compound with molecular formula C24H31N3O2 and molecular weight 393.24164 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methoxy-3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole
Also Known As: EMD 56551, 5-methoxy-3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole, 5-Methoxy-3-{4-[4-(4-methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole, T61816
| Molecular Formula | C24H31N3O2 |
| Molecular Weight | 393.24164 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 40.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 393.24164 Da |
| Heavy Atoms | 29 |
| Complexity | 475.0 |
| SMILES | COC1=CC=C(C=C1)N2CCN(CC2)CCCCC3=CNC4=C3C=C(C=C4)OC |
| InChIKey | MOFQVDOYTSRLKU-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that 5-Methoxy-3-{4-[4-(4-methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.7 Ų, 5-Methoxy-3-{4-[4-(4-methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methoxy-3-{4-[4-(4-methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole has 1 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 5-Methoxy-3-{4-[4-(4-methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole is 133109-86-1.
The molecular formula of 5-Methoxy-3-{4-[4-(4-methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole is C24H31N3O2.
The molecular weight of 5-Methoxy-3-{4-[4-(4-methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole is 393.24164 g/mol.
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