TL;DR: 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-5-pyrimidin-2-ylsulfanylpyrimidin-2-yl]sulfanylethanone (CAS 263755-70-0) is a chemical compound with molecular formula C22H14Cl2N4OS2 and molecular weight 483.9986 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-5-pyrimidin-2-ylsulfanylpyrimidin-2-yl]sulfanylethanone
Also Known As: 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-5-pyrimidin-2-ylsulfanylpyrimidin-2-yl]sulfanylethanone, 1-(4-chlorophenyl)-2-{[4-(4-chlorophenyl)-5-(pyrimidin-2-ylthio)pyrimidin-2-yl]thio}ethan-1-one, 1-(4-Chlorophenyl)-2-({4-(4-chlorophenyl)-5-[(pyrimidin-2-yl)sulfanyl]pyrimidin-2-yl}sulfanyl)ethan-1-one, 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-5-pyrimidin-2-ylsulfanyl-pyrimidin-2-yl]sulfanyl-ethanone
| Molecular Formula | C22H14Cl2N4OS2 |
| Molecular Weight | 483.9986 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 483.9986 Da |
| Heavy Atoms | 31 |
| Complexity | 568.0 |
| SMILES | C1=CN=C(N=C1)SC2=CN=C(N=C2C3=CC=C(C=C3)Cl)SCC(=O)C4=CC=C(C=C4)Cl |
| InChIKey | TXAIUAMWBQCANB-UHFFFAOYSA-N |
The XLogP value of 6.1 indicates that 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-5-pyrimidin-2-ylsulfanylpyrimidin-2-yl]sulfanylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-5-pyrimidin-2-ylsulfanylpyrimidin-2-yl]sulfanylethanone. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-5-pyrimidin-2-ylsulfanylpyrimidin-2-yl]sulfanylethanone has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-5-pyrimidin-2-ylsulfanylpyrimidin-2-yl]sulfanylethanone is 263755-70-0.
The molecular formula of 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-5-pyrimidin-2-ylsulfanylpyrimidin-2-yl]sulfanylethanone is C22H14Cl2N4OS2.
The molecular weight of 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-5-pyrimidin-2-ylsulfanylpyrimidin-2-yl]sulfanylethanone is 483.9986 g/mol.
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