TL;DR: 5-(dimethyl- (CAS 1022922-45-7) is a chemical compound with molecular formula C12H11FN2O3S and molecular weight 282.04745 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(dimethyl-λ4-sulfanylidene)-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
Also Known As: 5-(dimethyl-, 5-(dimethylsulfonio)-3-(4-fluorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinolate, 5-(dimethylsulfaniumyl)-1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ide, 5-(dimethylsulfonio)-1-(4-fluorophenyl)-2,4,6-trioxohexahydropyrimidin-5-ide, Cambridge id 7117909
| Molecular Formula | C12H11FN2O3S |
| Molecular Weight | 282.04745 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 85.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.04745 Da |
| Heavy Atoms | 19 |
| Complexity | 466.0 |
| SMILES | CS(=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)F)C |
| InChIKey | UDTATWZBGUKERV-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(dimethyl-. The TPSA of 85.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(dimethyl-. Following Lipinski's Rule of Five, 5-(dimethyl- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-(dimethyl- is 1022922-45-7.
The molecular formula of 5-(dimethyl- is C12H11FN2O3S.
The molecular weight of 5-(dimethyl- is 282.04745 g/mol.
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