(E)-2-((2-methoxy-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoxy)methyl)benzonitrile
TL;DR: (E)-2-((2-methoxy-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoxy)methyl)benzonitrile (CAS 708240-46-4) is a chemical compound with molecular formula C21H16N4O6 and molecular weight 420.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-methoxy-4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenoxy]methyl]benzonitrile
Also Known As: (E)-2-((2-methoxy-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoxy)methyl)benzonitrile, 2-({2-methoxy-4-[(E)-2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]phenoxy}methyl)benzonitrile, 2-({2-methoxy-4-[2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)vinyl]phenoxy}methyl)benzonitrile, 2-({4-[(E)-2-(2,6-dihydroxy-5-nitropyrimidin-4-yl)ethenyl]-2-methoxyphenoxy}methyl)benzonitrile, 2-[[2-methoxy-4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenoxy]methyl]benzonitrile
| Molecular Formula | C21H16N4O6 |
|---|---|
| Molecular Weight | 420.11 g/mol |
| LogP | 2.60108 |
| Topological Polar Surface Area | 151.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 420.107 |
| Heavy Atoms | 31 |
| Complexity | 1316.4209 |
Chemical Identifiers
| CAS Number | 708240-46-4 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/C2=C(C(=O)NC(=O)N2)[N+](=O)[O-])OCC3=CC=CC=C3C#N |
Product Overview
(E)-2-((2-methoxy-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoxy)methyl)benzonitrile (CAS 708240-46-4), with molecular formula C21H16N4O6 and molecular weight 420.11 g/mol. IUPAC: 2-[[2-methoxy-4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenoxy]methyl]benzonitrile.
Chemical Property Profile of (E)-2-((2-methoxy-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoxy)methyl)benzonitrile
Property Insights of (E)-2-((2-methoxy-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoxy)methyl)benzonitrile
The XLogP value of 2.60108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-((2-methoxy-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoxy)methyl)benzonitrile. The TPSA of 151.11 Ų indicates high polarity, suggesting (E)-2-((2-methoxy-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoxy)methyl)benzonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-2-((2-methoxy-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoxy)methyl)benzonitrile 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 (E)-2-((2-methoxy-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoxy)methyl)benzonitrile?
The CAS number of (E)-2-((2-methoxy-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoxy)methyl)benzonitrile is 708240-46-4.
What is the molecular formula of (E)-2-((2-methoxy-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoxy)methyl)benzonitrile?
The molecular formula of (E)-2-((2-methoxy-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoxy)methyl)benzonitrile is C21H16N4O6.
What is the molecular weight of (E)-2-((2-methoxy-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoxy)methyl)benzonitrile?
The molecular weight of (E)-2-((2-methoxy-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoxy)methyl)benzonitrile is 420.11 g/mol.
Where can I buy (E)-2-((2-methoxy-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoxy)methyl)benzonitrile?
You can request a quote for (E)-2-((2-methoxy-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoxy)methyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-((2-methoxy-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoxy)methyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((2-methoxy-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoxy)methyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.