![5-benzylidene-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6(1H,3H,5H)-pyrimidinetrione structure](/static/products/6166/6166-57-0.webp)
5-benzylidene-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6(1H,3H,5H)-pyrimidinetrione
TL;DR: 5-benzylidene-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 6166-57-0) is a chemical compound with molecular formula C18H10ClF3N2O3 and molecular weight 394.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-benzylidene-1-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione
Also Known As: 5-benzylidene-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6(1H,3H,5H)-pyrimidinetrione, (5E)-5-benzylidene-1-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C18H10ClF3N2O3 |
|---|---|
| Molecular Weight | 394.03 g/mol |
| LogP | 4.0252 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 394.0332 |
| Heavy Atoms | 27 |
| Complexity | 971.5623 |
Chemical Identifiers
| CAS Number | 6166-57-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/2\C(=O)NC(=O)N(C2=O)C3=C(C=CC(=C3)C(F)(F)F)Cl |
Product Overview
5-benzylidene-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 6166-57-0), with molecular formula C18H10ClF3N2O3 and molecular weight 394.03 g/mol. IUPAC: (5E)-5-benzylidene-1-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-benzylidene-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6(1H,3H,5H)-pyrimidinetrione
Property Insights of 5-benzylidene-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6(1H,3H,5H)-pyrimidinetrione
The XLogP value of 4.0252 indicates that 5-benzylidene-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6(1H,3H,5H)-pyrimidinetrione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-benzylidene-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6(1H,3H,5H)-pyrimidinetrione. Following Lipinski's Rule of Five, 5-benzylidene-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6(1H,3H,5H)-pyrimidinetrione has 1 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-benzylidene-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6(1H,3H,5H)-pyrimidinetrione?
The CAS number of 5-benzylidene-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6(1H,3H,5H)-pyrimidinetrione is 6166-57-0.
What is the molecular formula of 5-benzylidene-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular formula of 5-benzylidene-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6(1H,3H,5H)-pyrimidinetrione is C18H10ClF3N2O3.
What is the molecular weight of 5-benzylidene-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular weight of 5-benzylidene-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6(1H,3H,5H)-pyrimidinetrione is 394.03 g/mol.
Where can I buy 5-benzylidene-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6(1H,3H,5H)-pyrimidinetrione?
You can request a quote for 5-benzylidene-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6(1H,3H,5H)-pyrimidinetrione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-benzylidene-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6(1H,3H,5H)-pyrimidinetrione?
Yes, KEHONG BIO provides custom synthesis services for 5-benzylidene-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6(1H,3H,5H)-pyrimidinetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.