TL;DR: 5-(2-Bromoethenyl)-2',3'-dideoxy-3'-fluorouridine (CAS 141724-69-8) is a chemical compound with molecular formula C11H12BrFN2O4 and molecular weight 333.99646 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(E)-2-bromoethenyl]-1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Also Known As: 5-(2-Bromoethenyl)-2',3'-dideoxy-3'-fluorouridine, Uridine, 5-(2-bromoethenyl)-2',3'-dideoxy-3'-fluoro-, 2(1H)-Pyrimidinone, 5-[(E)-2-bromoethenyl]-1-(2,3-dideoxy-3-fluoro-beta-D-erythro-pentofuranosyl)-4-hydroxy-, 5-[(E)-2-bromoethenyl]-1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione, 5-[(E)-2-bromovinyl]-1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-hydroxy-pyrimidin-2-one
| Molecular Formula | C11H12BrFN2O4 |
| Molecular Weight | 333.99646 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.99646 Da |
| Heavy Atoms | 19 |
| Complexity | 454.0 |
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/Br)CO)F |
| InChIKey | IDRYAPXAQPCLRK-PIXDULNESA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-Bromoethenyl)-2',3'-dideoxy-3'-fluorouridine. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-Bromoethenyl)-2',3'-dideoxy-3'-fluorouridine. Following Lipinski's Rule of Five, 5-(2-Bromoethenyl)-2',3'-dideoxy-3'-fluorouridine 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-(2-Bromoethenyl)-2',3'-dideoxy-3'-fluorouridine is 141724-69-8.
The molecular formula of 5-(2-Bromoethenyl)-2',3'-dideoxy-3'-fluorouridine is C11H12BrFN2O4.
The molecular weight of 5-(2-Bromoethenyl)-2',3'-dideoxy-3'-fluorouridine is 333.99646 g/mol.
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