![2-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-ethoxy-6-nitrophenoxy]methyl]benzonitrile structure](/static/products/5319/5319-09-5.webp)
2-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-ethoxy-6-nitrophenoxy]methyl]benzonitrile
TL;DR: 2-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-ethoxy-6-nitrophenoxy]methyl]benzonitrile (CAS 5319-09-5) is a chemical compound with molecular formula C25H19N5O6 and molecular weight 485.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-ethoxy-6-nitrophenoxy]methyl]benzonitrile
Also Known As: 2-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-ethoxy-6-nitrophenoxy]methyl]benzonitrile, 2-[(4-{[(2,4-Dioxo-1,4-dihydroquinazolin-3(2H)-yl)imino]methyl}-2-ethoxy-6-nitrophenoxy)methyl]benzonitrile, 2-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-ethoxy-6-nitro-phenoxy]methyl]benzonitrile
| Molecular Formula | C25H19N5O6 |
|---|---|
| Molecular Weight | 485.13 g/mol |
| LogP | 3.32958 |
| Topological Polar Surface Area | 152.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 485.13354 |
| Heavy Atoms | 36 |
| Complexity | 1647.8071 |
Chemical Identifiers
| CAS Number | 5319-09-5 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC2=CC=CC=C2C#N)[N+](=O)[O-])C=NN3C(=O)C4=CC=CC=C4NC3=O |
Product Overview
2-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-ethoxy-6-nitrophenoxy]methyl]benzonitrile (CAS 5319-09-5), with molecular formula C25H19N5O6 and molecular weight 485.13 g/mol. IUPAC: 2-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-ethoxy-6-nitrophenoxy]methyl]benzonitrile.
Chemical Property Profile of 2-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-ethoxy-6-nitrophenoxy]methyl]benzonitrile
Property Insights of 2-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-ethoxy-6-nitrophenoxy]methyl]benzonitrile
The XLogP value of 3.32958 indicates that 2-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-ethoxy-6-nitrophenoxy]methyl]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.61 Ų indicates high polarity, suggesting 2-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-ethoxy-6-nitrophenoxy]methyl]benzonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-ethoxy-6-nitrophenoxy]methyl]benzonitrile has 1 hydrogen bond donor(s) and 8 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-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-ethoxy-6-nitrophenoxy]methyl]benzonitrile?
The CAS number of 2-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-ethoxy-6-nitrophenoxy]methyl]benzonitrile is 5319-09-5.
What is the molecular formula of 2-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-ethoxy-6-nitrophenoxy]methyl]benzonitrile?
The molecular formula of 2-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-ethoxy-6-nitrophenoxy]methyl]benzonitrile is C25H19N5O6.
What is the molecular weight of 2-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-ethoxy-6-nitrophenoxy]methyl]benzonitrile?
The molecular weight of 2-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-ethoxy-6-nitrophenoxy]methyl]benzonitrile is 485.13 g/mol.
Where can I buy 2-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-ethoxy-6-nitrophenoxy]methyl]benzonitrile?
You can request a quote for 2-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-ethoxy-6-nitrophenoxy]methyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-ethoxy-6-nitrophenoxy]methyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-ethoxy-6-nitrophenoxy]methyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.