TL;DR: 2-(4-(2,3-dimethylphenyl)piperazin-1-yl)-1-(8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2(5H)-yl)ethanone hydrochloride (CAS 1052527-09-9) is a chemical compound with molecular formula C26H33ClN4O and molecular weight 452.23428 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone;hydrochloride
Also Known As: 2-(4-(2,3-dimethylphenyl)piperazin-1-yl)-1-(8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2(5H)-yl)ethanone hydrochloride, 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone hydrochloride
| Molecular Formula | C26H33ClN4O |
| Molecular Weight | 452.23428 g/mol |
| XLogP | 4.22186 |
| Topological Polar Surface Area (TPSA) | 42.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 452.23428 Da |
| Heavy Atoms | 32 |
| Complexity | 633.0 |
| SMILES | CC1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)CN4CCN(CC4)C5=CC=CC(=C5C)C.Cl |
| InChIKey | XJPCFEJDCJFGFK-UHFFFAOYSA-N |
The XLogP value of 4.22186 indicates that 2-(4-(2,3-dimethylphenyl)piperazin-1-yl)-1-(8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2(5H)-yl)ethanone hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.6 Ų, 2-(4-(2,3-dimethylphenyl)piperazin-1-yl)-1-(8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2(5H)-yl)ethanone hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-(2,3-dimethylphenyl)piperazin-1-yl)-1-(8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2(5H)-yl)ethanone hydrochloride has 2 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-(4-(2,3-dimethylphenyl)piperazin-1-yl)-1-(8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2(5H)-yl)ethanone hydrochloride is 1052527-09-9.
The molecular formula of 2-(4-(2,3-dimethylphenyl)piperazin-1-yl)-1-(8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2(5H)-yl)ethanone hydrochloride is C26H33ClN4O.
The molecular weight of 2-(4-(2,3-dimethylphenyl)piperazin-1-yl)-1-(8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2(5H)-yl)ethanone hydrochloride is 452.23428 g/mol.
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