1-Methanesulfonyl-5-fluorouracil
TL;DR: 1-Methanesulfonyl-5-fluorouracil (CAS 54391-00-3) is a chemical compound with molecular formula C5H5FN2O4S and molecular weight 208.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-fluoro-1-methylsulfonylpyrimidine-2,4-dione
Also Known As: 1-Methanesulfonyl-5-fluorouracil, 1-Methylsulfonyl-5-fluorouracil, 5-fluoro-1 -methanesulfonyluracil, 5-fluoro-1-methylsulfonylpyrimidine-2,4-dione, 5-fluoro-1-(methylsulfonyl)pyrimidine-2,4(1h,3h)-dione
| Molecular Formula | C5H5FN2O4S |
|---|---|
| Molecular Weight | 208.00 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.9954 |
| Heavy Atoms | 13 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 54391-00-3 |
|---|---|
| SMILES | CS(=O)(=O)N1C=C(C(=O)NC1=O)F |
| InChIKey | BLMFZILCTKKUMH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methanesulfonyl-5-fluorouracil (CAS 54391-00-3), with molecular formula C5H5FN2O4S and molecular weight 208.00 g/mol. IUPAC: 5-fluoro-1-methylsulfonylpyrimidine-2,4-dione.
Chemical Property Profile of 1-Methanesulfonyl-5-fluorouracil
Property Insights of 1-Methanesulfonyl-5-fluorouracil
The XLogP value of -0.9 indicates that 1-Methanesulfonyl-5-fluorouracil is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methanesulfonyl-5-fluorouracil. Following Lipinski's Rule of Five, 1-Methanesulfonyl-5-fluorouracil has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Methanesulfonyl-5-fluorouracil?
The CAS number of 1-Methanesulfonyl-5-fluorouracil is 54391-00-3.
What is the molecular formula of 1-Methanesulfonyl-5-fluorouracil?
The molecular formula of 1-Methanesulfonyl-5-fluorouracil is C5H5FN2O4S.
What is the molecular weight of 1-Methanesulfonyl-5-fluorouracil?
The molecular weight of 1-Methanesulfonyl-5-fluorouracil is 208.00 g/mol.
Where can I buy 1-Methanesulfonyl-5-fluorouracil?
You can request a quote for 1-Methanesulfonyl-5-fluorouracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methanesulfonyl-5-fluorouracil?
Yes, KEHONG BIO provides custom synthesis services for 1-Methanesulfonyl-5-fluorouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.