TL;DR: Thieno(2,3-d)pyrimidin-4(1H)-one, 5-phenyl-2-(3-(trifluoromethyl)phenyl)- (CAS 120354-34-9) is a chemical compound with molecular formula C19H11F3N2OS and molecular weight 372.0544 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-phenyl-2-[3-(trifluoromethyl)phenyl]-3H-thieno[2,3-d]pyrimidin-4-one
Also Known As: Thieno(2,3-d)pyrimidin-4(1H)-one, 5-phenyl-2-(3-(trifluoromethyl)phenyl)-, 5-Phenyl-2-(3-(trifluoromethyl)phenyl)thieno(2,3-d)pyrimidin-4(1H)-one, 5-phenyl-2-[3-(trifluoromethyl)phenyl]-3H-thieno[2,3-d]pyrimidin-4-one, 5-Phenyl-2-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-4(3H)-one, BRN 5994799
| Molecular Formula | C19H11F3N2OS |
| Molecular Weight | 372.0544 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 372.0544 Da |
| Heavy Atoms | 26 |
| Complexity | 574.0 |
| SMILES | C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)C4=CC(=CC=C4)C(F)(F)F |
| InChIKey | CXXFNAPWPTWHDK-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that Thieno(2,3-d)pyrimidin-4(1H)-one, 5-phenyl-2-(3-(trifluoromethyl)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Thieno(2,3-d)pyrimidin-4(1H)-one, 5-phenyl-2-(3-(trifluoromethyl)phenyl)-. Following Lipinski's Rule of Five, Thieno(2,3-d)pyrimidin-4(1H)-one, 5-phenyl-2-(3-(trifluoromethyl)phenyl)- has 1 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 Thieno(2,3-d)pyrimidin-4(1H)-one, 5-phenyl-2-(3-(trifluoromethyl)phenyl)- is 120354-34-9.
The molecular formula of Thieno(2,3-d)pyrimidin-4(1H)-one, 5-phenyl-2-(3-(trifluoromethyl)phenyl)- is C19H11F3N2OS.
The molecular weight of Thieno(2,3-d)pyrimidin-4(1H)-one, 5-phenyl-2-(3-(trifluoromethyl)phenyl)- is 372.0544 g/mol.
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