![2-[(E)-2-{3-bromo-4-[(3-fluorobenzyl)oxy]-5-methoxyphenyl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one structure](/static/products/708/708280-60-8.png)
2-[(E)-2-{3-bromo-4-[(3-fluorobenzyl)oxy]-5-methoxyphenyl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one
TL;DR: 2-[(E)-2-{3-bromo-4-[(3-fluorobenzyl)oxy]-5-methoxyphenyl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one (CAS 708280-60-8) is a chemical compound with molecular formula C20H15BrFN3O6 and molecular weight 491.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-2-[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one
Also Known As: 2-[(E)-2-{3-bromo-4-[(3-fluorobenzyl)oxy]-5-methoxyphenyl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one, (E)-2-(3-bromo-4-((3-fluorobenzyl)oxy)-5-methoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one, 2-[(E)-2-[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one, 2-[(E)-2-{3-bromo-4-[(3-fluorobenzyl)oxy]-5-methoxyphenyl}ethenyl]-5-nitropyrimidine-4,6-diol
| Molecular Formula | C20H15BrFN3O6 |
|---|---|
| Molecular Weight | 491.01 g/mol |
| LogP | 4.0433 |
| Topological Polar Surface Area | 127.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.01282 |
| Heavy Atoms | 31 |
| Complexity | 1228.0225 |
Chemical Identifiers
| CAS Number | 708280-60-8 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C/C2=NC(=C(C(=O)N2)[N+](=O)[O-])O)Br)OCC3=CC(=CC=C3)F |
Product Overview
2-[(E)-2-{3-bromo-4-[(3-fluorobenzyl)oxy]-5-methoxyphenyl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one (CAS 708280-60-8), with molecular formula C20H15BrFN3O6 and molecular weight 491.01 g/mol. IUPAC: 2-[(E)-2-[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one.
Chemical Property Profile of 2-[(E)-2-{3-bromo-4-[(3-fluorobenzyl)oxy]-5-methoxyphenyl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one
Property Insights of 2-[(E)-2-{3-bromo-4-[(3-fluorobenzyl)oxy]-5-methoxyphenyl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one
The XLogP value of 4.0433 indicates that 2-[(E)-2-{3-bromo-4-[(3-fluorobenzyl)oxy]-5-methoxyphenyl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(E)-2-{3-bromo-4-[(3-fluorobenzyl)oxy]-5-methoxyphenyl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 2-[(E)-2-{3-bromo-4-[(3-fluorobenzyl)oxy]-5-methoxyphenyl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one has 2 hydrogen bond donor(s) and 7 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-{3-bromo-4-[(3-fluorobenzyl)oxy]-5-methoxyphenyl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one?
The CAS number of 2-[(E)-2-{3-bromo-4-[(3-fluorobenzyl)oxy]-5-methoxyphenyl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one is 708280-60-8.
What is the molecular formula of 2-[(E)-2-{3-bromo-4-[(3-fluorobenzyl)oxy]-5-methoxyphenyl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one?
The molecular formula of 2-[(E)-2-{3-bromo-4-[(3-fluorobenzyl)oxy]-5-methoxyphenyl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one is C20H15BrFN3O6.
What is the molecular weight of 2-[(E)-2-{3-bromo-4-[(3-fluorobenzyl)oxy]-5-methoxyphenyl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one?
The molecular weight of 2-[(E)-2-{3-bromo-4-[(3-fluorobenzyl)oxy]-5-methoxyphenyl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one is 491.01 g/mol.
Where can I buy 2-[(E)-2-{3-bromo-4-[(3-fluorobenzyl)oxy]-5-methoxyphenyl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one?
You can request a quote for 2-[(E)-2-{3-bromo-4-[(3-fluorobenzyl)oxy]-5-methoxyphenyl}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-{3-bromo-4-[(3-fluorobenzyl)oxy]-5-methoxyphenyl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(E)-2-{3-bromo-4-[(3-fluorobenzyl)oxy]-5-methoxyphenyl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.