5-(Difluorosulfomethyl)uracil
TL;DR: 5-(Difluorosulfomethyl)uracil (CAS 158698-42-1) is a chemical compound with molecular formula C5H4F2N2O5S and molecular weight 241.9809 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,4-dioxo-1H-pyrimidin-5-yl)-difluoromethanesulfonic acid
Also Known As: 5-(Difluorosulfomethyl)uracil, (2,4-dioxo-1H-pyrimidin-5-yl)-difluoromethanesulfonic acid, 5-Pyrimidinemethanesulfonic acid, alpha,alpha-difluoro-1,2,3,4-tetrahydro-2,4-dioxo-, (2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)di(fluoro)methanesulfonic acid, (2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)difluoromethanesulfonic acid
Technical Specifications
| Molecular Formula | C5H4F2N2O5S |
| Molecular Weight | 241.9809 g/mol |
| XLogP | -1.4 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.9809 Da |
| Heavy Atoms | 15 |
| Complexity | 449.0 |
| SMILES | C1=C(C(=O)NC(=O)N1)C(F)(F)S(=O)(=O)O |
| InChIKey | ANUTZYGVCHGSQK-UHFFFAOYSA-N |
Chemical Property Profile of 5-(Difluorosulfomethyl)uracil
Property Insights of 5-(Difluorosulfomethyl)uracil
The XLogP value of -1.4 indicates that 5-(Difluorosulfomethyl)uracil is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Difluorosulfomethyl)uracil. Following Lipinski's Rule of Five, 5-(Difluorosulfomethyl)uracil has 3 hydrogen bond donor(s) and 7 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-(Difluorosulfomethyl)uracil?
The CAS number of 5-(Difluorosulfomethyl)uracil is 158698-42-1.
What is the molecular formula of 5-(Difluorosulfomethyl)uracil?
The molecular formula of 5-(Difluorosulfomethyl)uracil is C5H4F2N2O5S.
What is the molecular weight of 5-(Difluorosulfomethyl)uracil?
The molecular weight of 5-(Difluorosulfomethyl)uracil is 241.9809 g/mol.
Where can I buy 5-(Difluorosulfomethyl)uracil?
You can request a quote for 5-(Difluorosulfomethyl)uracil directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(Difluorosulfomethyl)uracil?
Yes, CoreyChem provides custom synthesis services for 5-(Difluorosulfomethyl)uracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.