![5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione structure](/static/products/586/586987-13-5.png)
5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione
TL;DR: 5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione (CAS 586987-13-5) is a chemical compound with molecular formula C14H12F3N3O3 and molecular weight 327.08 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-1H-pyrimidine-2,4-dione
Also Known As: 5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione, (5E)-2,6-dihydroxy-5-(1-{[3-(trifluoromethyl)phenyl]amino}propylidene)pyrimidin-4(5H)-one, 5-(1-((3-(trifluoromethyl)phenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C14H12F3N3O3 |
|---|---|
| Molecular Weight | 327.08 g/mol |
| LogP | 2.3184 |
| Topological Polar Surface Area | 98.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.08307 |
| Heavy Atoms | 23 |
| Complexity | 865.79193 |
Chemical Identifiers
| CAS Number | 586987-13-5 |
|---|---|
| SMILES | CCC(=NC1=CC=CC(=C1)C(F)(F)F)C2=C(NC(=O)NC2=O)O |
Product Overview
5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione (CAS 586987-13-5), with molecular formula C14H12F3N3O3 and molecular weight 327.08 g/mol. IUPAC: 5-[C-ethyl-N-[3-(trifluoromethyl)phenyl]carbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione
Property Insights of 5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione
The XLogP value of 2.3184 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione. The TPSA of 98.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione has 3 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 5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione?
The CAS number of 5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione is 586987-13-5.
What is the molecular formula of 5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione?
The molecular formula of 5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione is C14H12F3N3O3.
What is the molecular weight of 5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione?
The molecular weight of 5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione is 327.08 g/mol.
Where can I buy 5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione?
You can request a quote for 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 5-[1-[3-(trifluoromethyl)anilino]propylidene]-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 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.