![4-{2-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]vinyl}-6-(trifluoromethyl)-2(1H)-pyrimidinone structure](/static/products/5380/5380-81-4.webp)
4-{2-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]vinyl}-6-(trifluoromethyl)-2(1H)-pyrimidinone
TL;DR: 4-{2-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]vinyl}-6-(trifluoromethyl)-2(1H)-pyrimidinone (CAS 5380-81-4) is a chemical compound with molecular formula C17H11F3N4O3 and molecular weight 376.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-2-[1-(4-nitrophenyl)pyrrol-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
Also Known As: 4-{2-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]vinyl}-6-(trifluoromethyl)-2(1H)-pyrimidinone, 4-[(1E)-2-[1-(4-NITROPHENYL)-1H-PYRROL-2-YL]ETHENYL]-6-(TRIFLUOROMETHYL)-1,2-DIHYDROPYRIMIDIN-2-ONE, 4-[(E)-2-[1-(4-nitrophenyl)pyrrol-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one, 4-{(E)-2-[1-(4-Nitrophenyl)-1H-pyrrol-2-yl]ethen-1-yl}-6-(trifluoromethyl)pyrimidin-2(1H)-one
| Molecular Formula | C17H11F3N4O3 |
|---|---|
| Molecular Weight | 376.08 g/mol |
| LogP | 3.658 |
| Topological Polar Surface Area | 93.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.07834 |
| Heavy Atoms | 27 |
| Complexity | 1066.018 |
Chemical Identifiers
| CAS Number | 5380-81-4 |
|---|---|
| SMILES | C1=CN(C(=C1)/C=C/C2=NC(=O)NC(=C2)C(F)(F)F)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
4-{2-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]vinyl}-6-(trifluoromethyl)-2(1H)-pyrimidinone (CAS 5380-81-4), with molecular formula C17H11F3N4O3 and molecular weight 376.08 g/mol. IUPAC: 4-[(E)-2-[1-(4-nitrophenyl)pyrrol-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one.
Chemical Property Profile of 4-{2-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]vinyl}-6-(trifluoromethyl)-2(1H)-pyrimidinone
Property Insights of 4-{2-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]vinyl}-6-(trifluoromethyl)-2(1H)-pyrimidinone
The XLogP value of 3.658 indicates that 4-{2-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]vinyl}-6-(trifluoromethyl)-2(1H)-pyrimidinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{2-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]vinyl}-6-(trifluoromethyl)-2(1H)-pyrimidinone. Following Lipinski's Rule of Five, 4-{2-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]vinyl}-6-(trifluoromethyl)-2(1H)-pyrimidinone has 1 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 4-{2-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]vinyl}-6-(trifluoromethyl)-2(1H)-pyrimidinone?
The CAS number of 4-{2-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]vinyl}-6-(trifluoromethyl)-2(1H)-pyrimidinone is 5380-81-4.
What is the molecular formula of 4-{2-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]vinyl}-6-(trifluoromethyl)-2(1H)-pyrimidinone?
The molecular formula of 4-{2-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]vinyl}-6-(trifluoromethyl)-2(1H)-pyrimidinone is C17H11F3N4O3.
What is the molecular weight of 4-{2-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]vinyl}-6-(trifluoromethyl)-2(1H)-pyrimidinone?
The molecular weight of 4-{2-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]vinyl}-6-(trifluoromethyl)-2(1H)-pyrimidinone is 376.08 g/mol.
Where can I buy 4-{2-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]vinyl}-6-(trifluoromethyl)-2(1H)-pyrimidinone?
You can request a quote for 4-{2-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]vinyl}-6-(trifluoromethyl)-2(1H)-pyrimidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{2-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]vinyl}-6-(trifluoromethyl)-2(1H)-pyrimidinone?
Yes, KEHONG BIO provides custom synthesis services for 4-{2-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]vinyl}-6-(trifluoromethyl)-2(1H)-pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.