TL;DR: 2',3'-Dideoxy-5-fluoro-3'-thiauridine (CAS 143790-05-0) is a chemical compound with molecular formula C8H9FN2O4S and molecular weight 248.0267 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-fluoro-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
Also Known As: Oxathiolan 5FU-beta, Emtricitabine Impurity 11, Emtricitabine FTU Impurity, Oxathiolan, 5FU-(+)-beta, Emtricitabine Impurity 12
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C8H9FN2O4S |
| Molecular Weight | 248.0267 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.0267 Da |
| Heavy Atoms | 16 |
| Complexity | 362.0 |
| SMILES | C1[C@@H](O[C@@H](S1)CO)N2C=C(C(=O)NC2=O)F |
| InChIKey | KOGYOPLNKQJQFM-RITPCOANSA-N |
The XLogP value of -0.6 indicates that 2',3'-Dideoxy-5-fluoro-3'-thiauridine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2',3'-Dideoxy-5-fluoro-3'-thiauridine. Following Lipinski's Rule of Five, 2',3'-Dideoxy-5-fluoro-3'-thiauridine has 2 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 2',3'-Dideoxy-5-fluoro-3'-thiauridine is 143790-05-0.
The molecular formula of 2',3'-Dideoxy-5-fluoro-3'-thiauridine is C8H9FN2O4S.
The molecular weight of 2',3'-Dideoxy-5-fluoro-3'-thiauridine is 248.0267 g/mol.
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