1-(p-Toluenesulfonyl)-5-fluorouracil
TL;DR: 1-(p-Toluenesulfonyl)-5-fluorouracil (CAS 56059-10-0) is a chemical compound with molecular formula C11H9FN2O4S and molecular weight 284.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-fluoro-1-(4-methylphenyl)sulfonylpyrimidine-2,4-dione
Also Known As: 1- -5-fluorouracil, 1-(p-Toluenesulfonyl)-5-fluorouracil, 1-(p-Tolylsulfonyl)-5-fluorouracil, 5-fluoro-1-(p-toluenesulfonyl)uracil, 1-(4-Methylphenylsulfonyl)-5-fluorouracil
| Molecular Formula | C11H9FN2O4S |
|---|---|
| Molecular Weight | 284.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.0267 |
| Heavy Atoms | 19 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 56059-10-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=O)NC2=O)F |
| InChIKey | PIZNOQYLTZXNRN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(p-Toluenesulfonyl)-5-fluorouracil (CAS 56059-10-0), with molecular formula C11H9FN2O4S and molecular weight 284.03 g/mol. IUPAC: 5-fluoro-1-(4-methylphenyl)sulfonylpyrimidine-2,4-dione.
Chemical Property Profile of 1-(p-Toluenesulfonyl)-5-fluorouracil
Property Insights of 1-(p-Toluenesulfonyl)-5-fluorouracil
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(p-Toluenesulfonyl)-5-fluorouracil. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(p-Toluenesulfonyl)-5-fluorouracil. Following Lipinski's Rule of Five, 1-(p-Toluenesulfonyl)-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-(p-Toluenesulfonyl)-5-fluorouracil?
The CAS number of 1-(p-Toluenesulfonyl)-5-fluorouracil is 56059-10-0.
What is the molecular formula of 1-(p-Toluenesulfonyl)-5-fluorouracil?
The molecular formula of 1-(p-Toluenesulfonyl)-5-fluorouracil is C11H9FN2O4S.
What is the molecular weight of 1-(p-Toluenesulfonyl)-5-fluorouracil?
The molecular weight of 1-(p-Toluenesulfonyl)-5-fluorouracil is 284.03 g/mol.
Where can I buy 1-(p-Toluenesulfonyl)-5-fluorouracil?
You can request a quote for 1-(p-Toluenesulfonyl)-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-(p-Toluenesulfonyl)-5-fluorouracil?
Yes, KEHONG BIO provides custom synthesis services for 1-(p-Toluenesulfonyl)-5-fluorouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.