TL;DR: 2-CHLORO-1-(4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)PROPAN-1-ONE (CAS 1023472-23-2) is a chemical compound with molecular formula C13H14Cl2F3N3O and molecular weight 355.0466 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one
Also Known As: 2-CHLORO-1-(4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)PROPAN-1-ONE, 2-chloro-1-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propan-1-one, 2-chloro-1-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}propan-1-one, 2-chloro-1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]propan-1-one, 2-chloro-1-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-1-propanone
| Molecular Formula | C13H14Cl2F3N3O |
| Molecular Weight | 355.0466 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 36.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 355.0466 Da |
| Heavy Atoms | 22 |
| Complexity | 402.0 |
| SMILES | CC(C(=O)N1CCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl)Cl |
| InChIKey | BOSMRCOCJAOGCO-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 2-CHLORO-1-(4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)PROPAN-1-ONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.4 Ų, 2-CHLORO-1-(4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)PROPAN-1-ONE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-CHLORO-1-(4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)PROPAN-1-ONE has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-CHLORO-1-(4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)PROPAN-1-ONE is 1023472-23-2.
The molecular formula of 2-CHLORO-1-(4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)PROPAN-1-ONE is C13H14Cl2F3N3O.
The molecular weight of 2-CHLORO-1-(4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)PROPAN-1-ONE is 355.0466 g/mol.
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