(E)-1-(4-methoxyphenyl)-5-(1-((3-(trifluoromethyl)phenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (E)-1-(4-methoxyphenyl)-5-(1-((3-(trifluoromethyl)phenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 573695-96-2) is a chemical compound with molecular formula C21H18F3N3O4 and molecular weight 433.12 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-methoxyphenyl)pyrimidine-2,4-dione
Also Known As: (E)-1-(4-methoxyphenyl)-5-(1-((3-(trifluoromethyl)phenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-6-hydroxy-3-(4-methoxyphenyl)-5-(1-{[3-(trifluoromethyl)phenyl]amino}propylidene)pyrimidine-2,4(3H,5H)-dione, 1-(4-methoxyphenyl)-5-[1-[[3-(trifluoromethyl)phenyl]amino]propylidene]-1,3-diazinane-2,4,6-trione, 1-(4-methoxyphenyl)-5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C21H18F3N3O4 |
|---|---|
| Molecular Weight | 433.12 g/mol |
| LogP | 3.7896 |
| Topological Polar Surface Area | 96.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 433.12494 |
| Heavy Atoms | 31 |
| Complexity | 1242.4504 |
Chemical Identifiers
| CAS Number | 573695-96-2 |
|---|---|
| SMILES | CCC(=NC1=CC=CC(=C1)C(F)(F)F)C2=C(N(C(=O)NC2=O)C3=CC=C(C=C3)OC)O |
Product Overview
(E)-1-(4-methoxyphenyl)-5-(1-((3-(trifluoromethyl)phenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 573695-96-2), with molecular formula C21H18F3N3O4 and molecular weight 433.12 g/mol. IUPAC: 5-[C-ethyl-N-[3-(trifluoromethyl)phenyl]carbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione.
Chemical Property Profile of (E)-1-(4-methoxyphenyl)-5-(1-((3-(trifluoromethyl)phenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (E)-1-(4-methoxyphenyl)-5-(1-((3-(trifluoromethyl)phenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 3.7896 indicates that (E)-1-(4-methoxyphenyl)-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 96.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-(4-methoxyphenyl)-5-(1-((3-(trifluoromethyl)phenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (E)-1-(4-methoxyphenyl)-5-(1-((3-(trifluoromethyl)phenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione 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 (E)-1-(4-methoxyphenyl)-5-(1-((3-(trifluoromethyl)phenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (E)-1-(4-methoxyphenyl)-5-(1-((3-(trifluoromethyl)phenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 573695-96-2.
What is the molecular formula of (E)-1-(4-methoxyphenyl)-5-(1-((3-(trifluoromethyl)phenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (E)-1-(4-methoxyphenyl)-5-(1-((3-(trifluoromethyl)phenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is C21H18F3N3O4.
What is the molecular weight of (E)-1-(4-methoxyphenyl)-5-(1-((3-(trifluoromethyl)phenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (E)-1-(4-methoxyphenyl)-5-(1-((3-(trifluoromethyl)phenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 433.12 g/mol.
Where can I buy (E)-1-(4-methoxyphenyl)-5-(1-((3-(trifluoromethyl)phenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (E)-1-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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.