![(5E)-1-(4-methylphenyl)-5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione structure](/static/products/578/578755-07-4.png)
(5E)-1-(4-methylphenyl)-5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione
TL;DR: (5E)-1-(4-methylphenyl)-5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione (CAS 578755-07-4) 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.
5-[C-ethyl-N-[3-(trifluoromethyl)phenyl]carbonimidoyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
Also Known As: (5E)-1-(4-methylphenyl)-5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione, (5E)-6-hydroxy-3-(4-methylphenyl)-5-(1-{[3-(trifluoromethyl)phenyl]amino}propylidene)pyrimidine-2,4(3H,5H)-dione, (E)-1-(p-tolyl)-5-(1-((3-(trifluoromethyl)phenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, 1-(4-methylphenyl)-5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C21H18F3N3O3 |
|---|---|
| Molecular Weight | 417.13 g/mol |
| LogP | 4.08942 |
| Topological Polar Surface Area | 87.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.13004 |
| Heavy Atoms | 30 |
| Complexity | 1223.2147 |
Chemical Identifiers
| CAS Number | 578755-07-4 |
|---|---|
| SMILES | CCC(=NC1=CC=CC(=C1)C(F)(F)F)C2=C(N(C(=O)NC2=O)C3=CC=C(C=C3)C)O |
Product Overview
(5E)-1-(4-methylphenyl)-5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione (CAS 578755-07-4), with molecular formula C21H18F3N3O3 and molecular weight 417.13 g/mol. IUPAC: 5-[C-ethyl-N-[3-(trifluoromethyl)phenyl]carbonimidoyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione.
Chemical Property Profile of (5E)-1-(4-methylphenyl)-5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione
Property Insights of (5E)-1-(4-methylphenyl)-5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione
The XLogP value of 4.08942 indicates that (5E)-1-(4-methylphenyl)-5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-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 (5E)-1-(4-methylphenyl)-5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, (5E)-1-(4-methylphenyl)-5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-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 (5E)-1-(4-methylphenyl)-5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione?
The CAS number of (5E)-1-(4-methylphenyl)-5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione is 578755-07-4.
What is the molecular formula of (5E)-1-(4-methylphenyl)-5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione?
The molecular formula of (5E)-1-(4-methylphenyl)-5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione is C21H18F3N3O3.
What is the molecular weight of (5E)-1-(4-methylphenyl)-5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione?
The molecular weight of (5E)-1-(4-methylphenyl)-5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione is 417.13 g/mol.
Where can I buy (5E)-1-(4-methylphenyl)-5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione?
You can request a quote for (5E)-1-(4-methylphenyl)-5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-1-(4-methylphenyl)-5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1-(4-methylphenyl)-5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.