(E)-2-(2-ethoxy-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoxy)-N-(m-tolyl)acetamide
TL;DR: (E)-2-(2-ethoxy-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoxy)-N-(m-tolyl)acetamide (CAS 706775-12-4) is a chemical compound with molecular formula C23H22N4O7 and molecular weight 466.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-ethoxy-4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenoxy]-N-(3-methylphenyl)acetamide
Also Known As: (E)-2-(2-ethoxy-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoxy)-N-(m-tolyl)acetamide, 2-[2-ethoxy-4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenoxy]-N-(3-methylphenyl)acetamide, 2-[2-ethoxy-4-[2-(5-nitro-2,6-dioxo-3H-pyrimidin-4-yl)ethenyl]phenoxy]-N-(3-methylphenyl)acetamide, 2-{2-ethoxy-4-[2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)vinyl]phenoxy}-N-(3-methylphenyl)acetamide, 2-{4-[(E)-2-(2,6-dihydroxy-5-nitropyrimidin-4-yl)ethenyl]-2-ethoxyphenoxy}-N-(3-methylphenyl)acetamide
| Molecular Formula | C23H22N4O7 |
|---|---|
| Molecular Weight | 466.15 g/mol |
| LogP | 2.86642 |
| Topological Polar Surface Area | 156.42 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 466.14883 |
| Heavy Atoms | 34 |
| Complexity | 1357.91 |
Chemical Identifiers
| CAS Number | 706775-12-4 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C/C2=C(C(=O)NC(=O)N2)[N+](=O)[O-])OCC(=O)NC3=CC=CC(=C3)C |
Product Overview
(E)-2-(2-ethoxy-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoxy)-N-(m-tolyl)acetamide (CAS 706775-12-4), with molecular formula C23H22N4O7 and molecular weight 466.15 g/mol. IUPAC: 2-[2-ethoxy-4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenoxy]-N-(3-methylphenyl)acetamide.
Chemical Property Profile of (E)-2-(2-ethoxy-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoxy)-N-(m-tolyl)acetamide
Property Insights of (E)-2-(2-ethoxy-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoxy)-N-(m-tolyl)acetamide
The XLogP value of 2.86642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-(2-ethoxy-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoxy)-N-(m-tolyl)acetamide. The TPSA of 156.42 Ų indicates high polarity, suggesting (E)-2-(2-ethoxy-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoxy)-N-(m-tolyl)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-2-(2-ethoxy-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoxy)-N-(m-tolyl)acetamide has 3 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-ethoxy-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoxy)-N-(m-tolyl)acetamide?
The CAS number of (E)-2-(2-ethoxy-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoxy)-N-(m-tolyl)acetamide is 706775-12-4.
What is the molecular formula of (E)-2-(2-ethoxy-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoxy)-N-(m-tolyl)acetamide?
The molecular formula of (E)-2-(2-ethoxy-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoxy)-N-(m-tolyl)acetamide is C23H22N4O7.
What is the molecular weight of (E)-2-(2-ethoxy-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoxy)-N-(m-tolyl)acetamide?
The molecular weight of (E)-2-(2-ethoxy-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoxy)-N-(m-tolyl)acetamide is 466.15 g/mol.
Where can I buy (E)-2-(2-ethoxy-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoxy)-N-(m-tolyl)acetamide?
You can request a quote for (E)-2-(2-ethoxy-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoxy)-N-(m-tolyl)acetamide 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-ethoxy-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoxy)-N-(m-tolyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(2-ethoxy-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoxy)-N-(m-tolyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.