![5-nitro-6-{(E)-2-[3-(trifluoromethyl)phenyl]ethenyl}pyrimidine-2,4-diol structure](/static/products/797/797771-85-8.png)
5-nitro-6-{(E)-2-[3-(trifluoromethyl)phenyl]ethenyl}pyrimidine-2,4-diol
TL;DR: 5-nitro-6-{(E)-2-[3-(trifluoromethyl)phenyl]ethenyl}pyrimidine-2,4-diol (CAS 797771-85-8) is a chemical compound with molecular formula C13H8F3N3O4 and molecular weight 327.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidine-2,4-dione
Also Known As: (E)-5-nitro-6-(3-(trifluoromethyl)styryl)pyrimidine-2,4(1H,3H)-dione, 5-nitro-6-{(E)-2-[3-(trifluoromethyl)phenyl]ethenyl}pyrimidine-2,4-diol, 5-nitro-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidine-2,4-dione, 5-nitro-6-{(E)-2-[3-(trifluoromethyl)phenyl]ethenyl}pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C13H8F3N3O4 |
|---|---|
| Molecular Weight | 327.05 g/mol |
| LogP | 2.1606 |
| Topological Polar Surface Area | 108.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.0467 |
| Heavy Atoms | 23 |
| Complexity | 896.31335 |
Chemical Identifiers
| CAS Number | 797771-85-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)/C=C/C2=C(C(=O)NC(=O)N2)[N+](=O)[O-] |
Product Overview
5-nitro-6-{(E)-2-[3-(trifluoromethyl)phenyl]ethenyl}pyrimidine-2,4-diol (CAS 797771-85-8), with molecular formula C13H8F3N3O4 and molecular weight 327.05 g/mol. IUPAC: 5-nitro-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-nitro-6-{(E)-2-[3-(trifluoromethyl)phenyl]ethenyl}pyrimidine-2,4-diol
Property Insights of 5-nitro-6-{(E)-2-[3-(trifluoromethyl)phenyl]ethenyl}pyrimidine-2,4-diol
The XLogP value of 2.1606 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-nitro-6-{(E)-2-[3-(trifluoromethyl)phenyl]ethenyl}pyrimidine-2,4-diol. The TPSA of 108.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-nitro-6-{(E)-2-[3-(trifluoromethyl)phenyl]ethenyl}pyrimidine-2,4-diol. Following Lipinski's Rule of Five, 5-nitro-6-{(E)-2-[3-(trifluoromethyl)phenyl]ethenyl}pyrimidine-2,4-diol has 2 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-nitro-6-{(E)-2-[3-(trifluoromethyl)phenyl]ethenyl}pyrimidine-2,4-diol?
The CAS number of 5-nitro-6-{(E)-2-[3-(trifluoromethyl)phenyl]ethenyl}pyrimidine-2,4-diol is 797771-85-8.
What is the molecular formula of 5-nitro-6-{(E)-2-[3-(trifluoromethyl)phenyl]ethenyl}pyrimidine-2,4-diol?
The molecular formula of 5-nitro-6-{(E)-2-[3-(trifluoromethyl)phenyl]ethenyl}pyrimidine-2,4-diol is C13H8F3N3O4.
What is the molecular weight of 5-nitro-6-{(E)-2-[3-(trifluoromethyl)phenyl]ethenyl}pyrimidine-2,4-diol?
The molecular weight of 5-nitro-6-{(E)-2-[3-(trifluoromethyl)phenyl]ethenyl}pyrimidine-2,4-diol is 327.05 g/mol.
Where can I buy 5-nitro-6-{(E)-2-[3-(trifluoromethyl)phenyl]ethenyl}pyrimidine-2,4-diol?
You can request a quote for 5-nitro-6-{(E)-2-[3-(trifluoromethyl)phenyl]ethenyl}pyrimidine-2,4-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-nitro-6-{(E)-2-[3-(trifluoromethyl)phenyl]ethenyl}pyrimidine-2,4-diol?
Yes, KEHONG BIO provides custom synthesis services for 5-nitro-6-{(E)-2-[3-(trifluoromethyl)phenyl]ethenyl}pyrimidine-2,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.