TL;DR: 2',2'-Difluorodeoxyuridine (CAS 153381-14-7) is a chemical compound with molecular formula C9H10F2N2O5 and molecular weight 264.0558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Also Known As: 2',2'-Difluorodeoxyuridine, 2'-Deoxy-2',2'-difluorouridine, 2',2'-Difluoro-2'-deoxyuridine, dFdU, difluorodeoxyuridine
| Molecular Formula | C9H10F2N2O5 |
| Molecular Weight | 264.0558 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 99.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.0558 Da |
| Heavy Atoms | 18 |
| Complexity | 414.0 |
| SMILES | C1=CN(C(=O)NC1=O)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F |
| InChIKey | FIRDBEQIJQERSE-QPPQHZFASA-N |
The XLogP value of -1.3 indicates that 2',2'-Difluorodeoxyuridine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2',2'-Difluorodeoxyuridine. Following Lipinski's Rule of Five, 2',2'-Difluorodeoxyuridine has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2',2'-Difluorodeoxyuridine is 153381-14-7.
The molecular formula of 2',2'-Difluorodeoxyuridine is C9H10F2N2O5.
The molecular weight of 2',2'-Difluorodeoxyuridine is 264.0558 g/mol.
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