TL;DR: F0513-0123 (CAS 362501-34-6) is a chemical compound with molecular formula C20H15BrFN3O2S2 and molecular weight 490.9773 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[3-(4-bromophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
Also Known As: F0513-0123, F0579-0719, 2-((3-(4-bromophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(4-fluorophenyl)acetamide, 2-{[3-(4-bromophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide, 2-[[3-(4-bromophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
| Molecular Formula | C20H15BrFN3O2S2 |
| Molecular Weight | 490.9773 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 490.9773 Da |
| Heavy Atoms | 29 |
| Complexity | 717.0 |
| SMILES | C1CSC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Br)SCC(=O)NC4=CC=C(C=C4)F |
| InChIKey | PKSNXRUXJIMCGD-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that F0513-0123 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for F0513-0123. Following Lipinski's Rule of Five, F0513-0123 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 F0513-0123 is 362501-34-6.
The molecular formula of F0513-0123 is C20H15BrFN3O2S2.
The molecular weight of F0513-0123 is 490.9773 g/mol.
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