5-Fluoro-4-thio-2'-deoxyuridylate
TL;DR: 5-Fluoro-4-thio-2'-deoxyuridylate (CAS 114319-04-9) is a chemical compound with molecular formula C9H12FN2O7PS and molecular weight 342.0087 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3S,5R)-5-(5-fluoro-2-oxo-4-sulfanylidenepyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
Also Known As: 4-Thio-5-fdump, 4-Thio-5-fluoro-dump, 4-Thio-FdUMP, 5-Fluoro-4-thio-2'-dump, 5-Fluoro-4-thio-2'-deoxyuridylate
Technical Specifications
| Molecular Formula | C9H12FN2O7PS |
| Molecular Weight | 342.0087 g/mol |
| XLogP | -2.2 |
| Topological Polar Surface Area (TPSA) | 161.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.0087 Da |
| Heavy Atoms | 21 |
| Complexity | 538.0 |
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=S)NC2=O)F)COP(=O)(O)O)O |
| InChIKey | VLTZYBAOAJCYLU-RRKCRQDMSA-N |
Chemical Property Profile of 5-Fluoro-4-thio-2'-deoxyuridylate
Property Insights of 5-Fluoro-4-thio-2'-deoxyuridylate
The XLogP value of -2.2 indicates that 5-Fluoro-4-thio-2'-deoxyuridylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 161.0 Ų indicates high polarity, suggesting 5-Fluoro-4-thio-2'-deoxyuridylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Fluoro-4-thio-2'-deoxyuridylate has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Fluoro-4-thio-2'-deoxyuridylate?
The CAS number of 5-Fluoro-4-thio-2'-deoxyuridylate is 114319-04-9.
What is the molecular formula of 5-Fluoro-4-thio-2'-deoxyuridylate?
The molecular formula of 5-Fluoro-4-thio-2'-deoxyuridylate is C9H12FN2O7PS.
What is the molecular weight of 5-Fluoro-4-thio-2'-deoxyuridylate?
The molecular weight of 5-Fluoro-4-thio-2'-deoxyuridylate is 342.0087 g/mol.
Where can I buy 5-Fluoro-4-thio-2'-deoxyuridylate?
You can request a quote for 5-Fluoro-4-thio-2'-deoxyuridylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Fluoro-4-thio-2'-deoxyuridylate?
Yes, CoreyChem provides custom synthesis services for 5-Fluoro-4-thio-2'-deoxyuridylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.