![(5E)-5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-1-(2-fluorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione structure](/static/products/4333/433311-68-3.webp)
(5E)-5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-1-(2-fluorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (5E)-5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-1-(2-fluorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 433311-68-3) is a chemical compound with molecular formula C24H17F4N3O3 and molecular weight 471.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]methylidene]-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione
Also Known As: (5E)-5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-1-(2-fluorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-5-[[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]methylidene]-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C24H17F4N3O3 |
|---|---|
| Molecular Weight | 471.12 g/mol |
| LogP | 4.91844 |
| Topological Polar Surface Area | 71.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 471.1206 |
| Heavy Atoms | 34 |
| Complexity | 1372.023 |
Chemical Identifiers
| CAS Number | 433311-68-3 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC=C2C(F)(F)F)C)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC=CC=C4F |
Product Overview
(5E)-5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-1-(2-fluorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 433311-68-3), with molecular formula C24H17F4N3O3 and molecular weight 471.12 g/mol. IUPAC: (5E)-5-[[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]methylidene]-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (5E)-5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-1-(2-fluorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (5E)-5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-1-(2-fluorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 4.91844 indicates that (5E)-5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-1-(2-fluorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.41 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-1-(2-fluorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (5E)-5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-1-(2-fluorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione 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 (5E)-5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-1-(2-fluorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (5E)-5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-1-(2-fluorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione is 433311-68-3.
What is the molecular formula of (5E)-5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-1-(2-fluorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (5E)-5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-1-(2-fluorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione is C24H17F4N3O3.
What is the molecular weight of (5E)-5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-1-(2-fluorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (5E)-5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-1-(2-fluorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione is 471.12 g/mol.
Where can I buy (5E)-5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-1-(2-fluorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (5E)-5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-1-(2-fluorophenyl)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 (5E)-5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-1-(2-fluorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-1-(2-fluorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.