TL;DR: 1H-Pyrido(3,4-b)indol-1-one, 2,3,4,9-tetrahydro-2-(3-(4-(2-chlorophenyl)-1-piperazinyl)propyl)-9-methyl- (CAS 142944-42-1) is a chemical compound with molecular formula C25H29ClN4O and molecular weight 436.203 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-9-methyl-3,4-dihydropyrido[3,4-b]indol-1-one
Also Known As: 1H-Pyrido(3,4-b)indol-1-one, 2,3,4,9-tetrahydro-2-(3-(4-(2-chlorophenyl)-1-piperazinyl)propyl)-9-methyl-, 2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-9-methyl-3,4-dihydropyrido[3,4-b]indol-1-one, 2-{3-[4-(2-CHLOROPHENYL)PIPERAZIN-1-YL]PROPYL}-9-METHYL-1H,2H,3H,4H,9H-PYRIDO[3,4-B]INDOL-1-ONE, 2-{3-[4-(2-Chlorophenyl)piperazin-1-yl]propyl}-9-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one, 3,4-Dihydro-2-[3-[4-(2-chlorophenyl)-1-piperazinyl]propyl]-9-methyl-beta-carbolin-1(2H)-one
| Molecular Formula | C25H29ClN4O |
| Molecular Weight | 436.203 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 31.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 436.203 Da |
| Heavy Atoms | 31 |
| Complexity | 625.0 |
| SMILES | CN1C2=CC=CC=C2C3=C1C(=O)N(CC3)CCCN4CCN(CC4)C5=CC=CC=C5Cl |
| InChIKey | JOOVLYFORBMAGC-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that 1H-Pyrido(3,4-b)indol-1-one, 2,3,4,9-tetrahydro-2-(3-(4-(2-chlorophenyl)-1-piperazinyl)propyl)-9-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.7 Ų, 1H-Pyrido(3,4-b)indol-1-one, 2,3,4,9-tetrahydro-2-(3-(4-(2-chlorophenyl)-1-piperazinyl)propyl)-9-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrido(3,4-b)indol-1-one, 2,3,4,9-tetrahydro-2-(3-(4-(2-chlorophenyl)-1-piperazinyl)propyl)-9-methyl- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-Pyrido(3,4-b)indol-1-one, 2,3,4,9-tetrahydro-2-(3-(4-(2-chlorophenyl)-1-piperazinyl)propyl)-9-methyl- is 142944-42-1.
The molecular formula of 1H-Pyrido(3,4-b)indol-1-one, 2,3,4,9-tetrahydro-2-(3-(4-(2-chlorophenyl)-1-piperazinyl)propyl)-9-methyl- is C25H29ClN4O.
The molecular weight of 1H-Pyrido(3,4-b)indol-1-one, 2,3,4,9-tetrahydro-2-(3-(4-(2-chlorophenyl)-1-piperazinyl)propyl)-9-methyl- is 436.203 g/mol.
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