5-Perfluoropropylthio-6-azuridine
TL;DR: 5-Perfluoropropylthio-6-azuridine (CAS 113321-61-2) is a chemical compound with molecular formula C11H10F7N3O6S and molecular weight 445.01785 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-1,2,4-triazine-3,5-dione
Also Known As: 5-Perfluoropropylthio-6-azuridine, 1,2,4-Triazine-3,5(2H,4H)-dione, 6-((heptafluoropropyl)thio)-2-beta-D-ribofuranosyl-, 6-((Heptafluoropropyl)thio)-2-beta-D-ribofuranosyl-1,2,4-triazine-3,5(2H,4H)-dione, 6-[(Heptafluoropropyl)sulfanyl]-2-beta-D-ribofuranosyl-1,2,4-triazine-3,5(2H,4H)-dione, 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-1,2,4-triazine-3,5-dione
Technical Specifications
| Molecular Formula | C11H10F7N3O6S |
| Molecular Weight | 445.01785 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 157.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.01785 Da |
| Heavy Atoms | 28 |
| Complexity | 690.0 |
| SMILES | C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C(=O)NC(=O)C(=N2)SC(C(C(F)(F)F)(F)F)(F)F)O)O)O |
| InChIKey | GOPINJPBRDPPMQ-WVQVIYPNSA-N |
Chemical Property Profile of 5-Perfluoropropylthio-6-azuridine
Property Insights of 5-Perfluoropropylthio-6-azuridine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Perfluoropropylthio-6-azuridine. The TPSA of 157.0 Ų indicates high polarity, suggesting 5-Perfluoropropylthio-6-azuridine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Perfluoropropylthio-6-azuridine has 4 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 5-Perfluoropropylthio-6-azuridine?
The CAS number of 5-Perfluoropropylthio-6-azuridine is 113321-61-2.
What is the molecular formula of 5-Perfluoropropylthio-6-azuridine?
The molecular formula of 5-Perfluoropropylthio-6-azuridine is C11H10F7N3O6S.
What is the molecular weight of 5-Perfluoropropylthio-6-azuridine?
The molecular weight of 5-Perfluoropropylthio-6-azuridine is 445.01785 g/mol.
Where can I buy 5-Perfluoropropylthio-6-azuridine?
You can request a quote for 5-Perfluoropropylthio-6-azuridine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Perfluoropropylthio-6-azuridine?
Yes, CoreyChem provides custom synthesis services for 5-Perfluoropropylthio-6-azuridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.