![5-[3-(trifluoromethyl)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione structure](/static/products/4025/402580-03-4.webp)
5-[3-(trifluoromethyl)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: 5-[3-(trifluoromethyl)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 402580-03-4) is a chemical compound with molecular formula C12H7F3N2O3 and molecular weight 284.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: 5-[[3-(Trifluoromethyl)phenyl]methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[3-(trifluoromethyl)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione, 5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione, 5-[3-(trifluoromethyl)benzylidene]-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-{[3-(TRIFLUOROMETHYL)PHENYL]METHYLENE}-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE
| Molecular Formula | C12H7F3N2O3 |
|---|---|
| Molecular Weight | 284.04 g/mol |
| LogP | 1.4548 |
| Topological Polar Surface Area | 75.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 284.04086 |
| Heavy Atoms | 20 |
| Complexity | 613.0799 |
Chemical Identifiers
| CAS Number | 402580-03-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C=C2C(=O)NC(=O)NC2=O |
Product Overview
5-[3-(trifluoromethyl)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 402580-03-4), with molecular formula C12H7F3N2O3 and molecular weight 284.04 g/mol. IUPAC: 5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-[3-(trifluoromethyl)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of 5-[3-(trifluoromethyl)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 1.4548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[3-(trifluoromethyl)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 75.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[3-(trifluoromethyl)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, 5-[3-(trifluoromethyl)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione has 2 hydrogen bond donor(s) and 3 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 5-[3-(trifluoromethyl)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of 5-[3-(trifluoromethyl)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione is 402580-03-4.
What is the molecular formula of 5-[3-(trifluoromethyl)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of 5-[3-(trifluoromethyl)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione is C12H7F3N2O3.
What is the molecular weight of 5-[3-(trifluoromethyl)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of 5-[3-(trifluoromethyl)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione is 284.04 g/mol.
Where can I buy 5-[3-(trifluoromethyl)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for 5-[3-(trifluoromethyl)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[3-(trifluoromethyl)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-[3-(trifluoromethyl)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.