(E)-1-benzyl-5-(1-((3-(trifluoromethyl)phenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (E)-1-benzyl-5-(1-((3-(trifluoromethyl)phenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 714246-04-5) is a chemical compound with molecular formula C21H18F3N3O3 and molecular weight 417.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-5-[C-ethyl-N-[3-(trifluoromethyl)phenyl]carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
Also Known As: (E)-1-benzyl-5-(1-((3-(trifluoromethyl)phenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-1-benzyl-5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione, 1-benzyl-5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione, (5E)-3-benzyl-6-hydroxy-5-(1-{[3-(trifluoromethyl)phenyl]amino}propylidene)pyrimidine-2,4(3H,5H)-dione
| Molecular Formula | C21H18F3N3O3 |
|---|---|
| Molecular Weight | 417.13 g/mol |
| LogP | 3.8401 |
| Topological Polar Surface Area | 87.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.13004 |
| Heavy Atoms | 30 |
| Complexity | 1195.8441 |
Chemical Identifiers
| CAS Number | 714246-04-5 |
|---|---|
| SMILES | CCC(=NC1=CC=CC(=C1)C(F)(F)F)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)O |
Product Overview
(E)-1-benzyl-5-(1-((3-(trifluoromethyl)phenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 714246-04-5), with molecular formula C21H18F3N3O3 and molecular weight 417.13 g/mol. IUPAC: 1-benzyl-5-[C-ethyl-N-[3-(trifluoromethyl)phenyl]carbonimidoyl]-6-hydroxypyrimidine-2,4-dione.
Chemical Property Profile of (E)-1-benzyl-5-(1-((3-(trifluoromethyl)phenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (E)-1-benzyl-5-(1-((3-(trifluoromethyl)phenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 3.8401 indicates that (E)-1-benzyl-5-(1-((3-(trifluoromethyl)phenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.45 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-benzyl-5-(1-((3-(trifluoromethyl)phenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (E)-1-benzyl-5-(1-((3-(trifluoromethyl)phenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione has 2 hydrogen bond donor(s) and 4 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 (E)-1-benzyl-5-(1-((3-(trifluoromethyl)phenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (E)-1-benzyl-5-(1-((3-(trifluoromethyl)phenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 714246-04-5.
What is the molecular formula of (E)-1-benzyl-5-(1-((3-(trifluoromethyl)phenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (E)-1-benzyl-5-(1-((3-(trifluoromethyl)phenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is C21H18F3N3O3.
What is the molecular weight of (E)-1-benzyl-5-(1-((3-(trifluoromethyl)phenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (E)-1-benzyl-5-(1-((3-(trifluoromethyl)phenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 417.13 g/mol.
Where can I buy (E)-1-benzyl-5-(1-((3-(trifluoromethyl)phenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (E)-1-benzyl-5-(1-((3-(trifluoromethyl)phenyl)amino)propylidene)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 (E)-1-benzyl-5-(1-((3-(trifluoromethyl)phenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-benzyl-5-(1-((3-(trifluoromethyl)phenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.