TL;DR: 4(3H)-Pyrimidinone, 2-(methylthio)-3-(4-(3-(4-phenyl-1-piperazinyl)propoxy)phenyl)- (CAS 119321-60-7) is a chemical compound with molecular formula C24H28N4O2S and molecular weight 436.1933 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylsulfanyl-3-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]pyrimidin-4-one
Also Known As: 4(3H)-Pyrimidinone, 2-(methylthio)-3-(4-(3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-, 1-(4-(1-(2-Methylmercapto)-6-oxo-pyrimidinyl)phenoxy)-3-(N-(N'-phenylpiperazinyl))propane, 3-(4-(3-(4-Phenyl-1-piperazinyl)propoxy)phenyl)-2-(methylthio)-4(3H)-pyrimidinone, 2-Benzyl-2-dimethylamino-1-(4-morpholinophenyl)-1-butanone, 2-(Methylthio)-3-(4-(3-(4-phenylpiperazin-1-yl)propoxy)phenyl)pyrimidin-4(3H)-one
| Molecular Formula | C24H28N4O2S |
| Molecular Weight | 436.1933 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 73.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 436.1933 Da |
| Heavy Atoms | 31 |
| Complexity | 633.0 |
| SMILES | CSC1=NC=CC(=O)N1C2=CC=C(C=C2)OCCCN3CCN(CC3)C4=CC=CC=C4 |
| InChIKey | CNRJNQTUMNGQST-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that 4(3H)-Pyrimidinone, 2-(methylthio)-3-(4-(3-(4-phenyl-1-piperazinyl)propoxy)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4(3H)-Pyrimidinone, 2-(methylthio)-3-(4-(3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-. Following Lipinski's Rule of Five, 4(3H)-Pyrimidinone, 2-(methylthio)-3-(4-(3-(4-phenyl-1-piperazinyl)propoxy)phenyl)- 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 4(3H)-Pyrimidinone, 2-(methylthio)-3-(4-(3-(4-phenyl-1-piperazinyl)propoxy)phenyl)- is 119321-60-7.
The molecular formula of 4(3H)-Pyrimidinone, 2-(methylthio)-3-(4-(3-(4-phenyl-1-piperazinyl)propoxy)phenyl)- is C24H28N4O2S.
The molecular weight of 4(3H)-Pyrimidinone, 2-(methylthio)-3-(4-(3-(4-phenyl-1-piperazinyl)propoxy)phenyl)- is 436.1933 g/mol.
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