TL;DR: 5-o-Carboranyl-1-(2-deoxy-2-fluoro-arabinofuranosyl)uracil (CAS 157444-53-6) is a chemical compound with molecular formula C11H10B10FN2O5 and molecular weight 379.15042 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
Also Known As: 5-Cfau, 5-o-Carboranyl-1-(2-deoxy-2-fluoro-arabinofuranosyl)uracil, 5-o-Carboranyl-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)uracil, 1-(2-Deoxy-2-fluoro-beta-D-ribofuranosyl)-5-(1,2-dicarbadodecaboran(12)-1-yl)-2,4(1H,3H)-pyrimidinedione, 2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-2-fluoro-beta-D-ribofuranosyl)-5-(1,2-dicarbadodecaboran(12)-1-yl)-
| Molecular Formula | C11H10B10FN2O5 |
| Molecular Weight | 379.15042 g/mol |
| XLogP | -5.7097 |
| Topological Polar Surface Area (TPSA) | 99.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.15042 Da |
| Heavy Atoms | 29 |
| Complexity | 1010.0 |
| SMILES | [B]1B2B3B2B3B1B4B5B6C57B4C76C8=CN(C(=O)NC8=O)[C@H]9[C@H]([C@@H]([C@H](O9)CO)O)F |
| InChIKey | FSYQQKZZLXMLKG-BAFBOGLKSA-N |
The XLogP value of -5.7097 indicates that 5-o-Carboranyl-1-(2-deoxy-2-fluoro-arabinofuranosyl)uracil 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 5-o-Carboranyl-1-(2-deoxy-2-fluoro-arabinofuranosyl)uracil. Following Lipinski's Rule of Five, 5-o-Carboranyl-1-(2-deoxy-2-fluoro-arabinofuranosyl)uracil has 3 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 5-o-Carboranyl-1-(2-deoxy-2-fluoro-arabinofuranosyl)uracil is 157444-53-6.
The molecular formula of 5-o-Carboranyl-1-(2-deoxy-2-fluoro-arabinofuranosyl)uracil is C11H10B10FN2O5.
The molecular weight of 5-o-Carboranyl-1-(2-deoxy-2-fluoro-arabinofuranosyl)uracil is 379.15042 g/mol.
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