TL;DR: 5'-Deoxy-5'-fluorothymidine (CAS 17199-43-8) is a chemical compound with molecular formula C10H13FN2O4 and molecular weight 244.08594 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2R,4S,5S)-5-(fluoromethyl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: 5'-Deoxy-5'-fluorothymidine, 3uxm, 5'-Fluorodeoxythymidine, 5'-Deoxy-5'fluorothymidine, 2',5'-Dideoxy-5'-fluorothymidine
| Molecular Formula | C10H13FN2O4 |
| Molecular Weight | 244.08594 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.08594 Da |
| Heavy Atoms | 17 |
| Complexity | 385.0 |
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CF)O |
| InChIKey | MYWVPKQWFIVGJZ-XLPZGREQSA-N |
The XLogP value of -0.7 indicates that 5'-Deoxy-5'-fluorothymidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5'-Deoxy-5'-fluorothymidine. Following Lipinski's Rule of Five, 5'-Deoxy-5'-fluorothymidine has 2 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'-Deoxy-5'-fluorothymidine is 17199-43-8.
The molecular formula of 5'-Deoxy-5'-fluorothymidine is C10H13FN2O4.
The molecular weight of 5'-Deoxy-5'-fluorothymidine is 244.08594 g/mol.
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