TL;DR: Piperazine 1Pyrid 4Indolyl deriv. (CAS 147920-17-0) is a chemical compound with molecular formula C22H28N6O3S and molecular weight 456.19437 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-6-yl]methanesulfonamide
Also Known As: Piperazine 1Pyrid 4Indolyl deriv., 5- or 6-Substituted Indole BHAP analogue 21, Piperazine, 1-(3-((1-methylethyl)amino)-2-pyridinyl)-4-((5-((methylsulfonyl)amino)-1H-indol-2-yl)carbonyl)-, 1-((6-(Methylsulfonylamino)-2-indolyl)carbonyl)-4-(3-(isopropylamino)-2-pyridinyl)piperazine, 1-[[6-(Methylsulfonylamino)-2-indolyl]carbonyl]-4-[3-(isopropylamino)-2-pyridinyl]piperazine
| Molecular Formula | C22H28N6O3S |
| Molecular Weight | 456.19437 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.19437 Da |
| Heavy Atoms | 32 |
| Complexity | 749.0 |
| SMILES | CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=C(C=C4)NS(=O)(=O)C |
| InChIKey | MNBKLKMYYXAKHM-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperazine 1Pyrid 4Indolyl deriv.. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperazine 1Pyrid 4Indolyl deriv.. Following Lipinski's Rule of Five, Piperazine 1Pyrid 4Indolyl deriv. has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Piperazine 1Pyrid 4Indolyl deriv. is 147920-17-0.
The molecular formula of Piperazine 1Pyrid 4Indolyl deriv. is C22H28N6O3S.
The molecular weight of Piperazine 1Pyrid 4Indolyl deriv. is 456.19437 g/mol.
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