Trifluoromethyluracil
TL;DR: Trifluoromethyluracil (CAS 54-20-6) is a chemical compound with molecular formula C5H3F3N2O2 and molecular weight 180.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(trifluoromethyl)-1H-pyrimidine-2,4-dione
Also Known As: 5-(Trifluoromethyl)uracil, Trifluorothymine, 5-Trifluoromethyluracil, Trifluoromethyluracil, Trifluoridine
| Molecular Formula | C5H3F3N2O2 |
|---|---|
| Molecular Weight | 180.01 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.01466 |
| Heavy Atoms | 12 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 54-20-6 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1)C(F)(F)F |
| InChIKey | LMNPKIOZMGYQIU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trifluoromethyluracil (CAS 54-20-6), with molecular formula C5H3F3N2O2 and molecular weight 180.01 g/mol. IUPAC: 5-(trifluoromethyl)-1H-pyrimidine-2,4-dione.
Chemical Property Profile of Trifluoromethyluracil
Property Insights of Trifluoromethyluracil
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trifluoromethyluracil. With a topological polar surface area (TPSA) of 58.2 Ų, Trifluoromethyluracil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trifluoromethyluracil has 2 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 Trifluoromethyluracil?
The CAS number of Trifluoromethyluracil is 54-20-6.
What is the molecular formula of Trifluoromethyluracil?
The molecular formula of Trifluoromethyluracil is C5H3F3N2O2.
What is the molecular weight of Trifluoromethyluracil?
The molecular weight of Trifluoromethyluracil is 180.01 g/mol.
Where can I buy Trifluoromethyluracil?
You can request a quote for Trifluoromethyluracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trifluoromethyluracil?
Yes, KEHONG BIO provides custom synthesis services for Trifluoromethyluracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.