![2-[(E)-2-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one structure](/static/products/708/708290-69-1.png)
2-[(E)-2-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one
TL;DR: 2-[(E)-2-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one (CAS 708290-69-1) is a chemical compound with molecular formula C19H15F3N4O4 and molecular weight 420.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one
Also Known As: 2-[(E)-2-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one, (E)-2-(2-(2,5-dimethyl-1-(3-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one, 2-(2-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}vinyl)-6-hydroxy-5-nitro-4(3H)-pyrimidinone, 2-[(E)-2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one, 2-[(E)-2-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}ethenyl]-5-nitropyrimidine-4,6-diol
| Molecular Formula | C19H15F3N4O4 |
|---|---|
| Molecular Weight | 420.10 g/mol |
| LogP | 3.98044 |
| Topological Polar Surface Area | 114.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.10455 |
| Heavy Atoms | 30 |
| Complexity | 1225.493 |
Chemical Identifiers
| CAS Number | 708290-69-1 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC(=C2)C(F)(F)F)C)/C=C/C3=NC(=C(C(=O)N3)[N+](=O)[O-])O |
Product Overview
2-[(E)-2-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one (CAS 708290-69-1), with molecular formula C19H15F3N4O4 and molecular weight 420.10 g/mol. IUPAC: 2-[(E)-2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one.
Chemical Property Profile of 2-[(E)-2-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one
Property Insights of 2-[(E)-2-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one
The XLogP value of 3.98044 indicates that 2-[(E)-2-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(E)-2-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 2-[(E)-2-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one 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 2-[(E)-2-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one?
The CAS number of 2-[(E)-2-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one is 708290-69-1.
What is the molecular formula of 2-[(E)-2-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one?
The molecular formula of 2-[(E)-2-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one is C19H15F3N4O4.
What is the molecular weight of 2-[(E)-2-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one?
The molecular weight of 2-[(E)-2-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one is 420.10 g/mol.
Where can I buy 2-[(E)-2-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one?
You can request a quote for 2-[(E)-2-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(E)-2-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(E)-2-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.