![(5E)-4-methyl-2,6-dioxo-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1-phenethylpyridine-3-carbonitrile structure](/static/products/698/698988-52-2.png)
(5E)-4-methyl-2,6-dioxo-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1-phenethylpyridine-3-carbonitrile
TL;DR: (5E)-4-methyl-2,6-dioxo-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1-phenethylpyridine-3-carbonitrile (CAS 698988-52-2) is a chemical compound with molecular formula C28H20N2O5 and molecular weight 464.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-4-methyl-2,6-dioxo-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1-(2-phenylethyl)pyridine-3-carbonitrile
Also Known As: (5E)-4-methyl-2,6-dioxo-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1-phenethylpyridine-3-carbonitrile, (5E)-4-methyl-2,6-dioxo-5-{[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)-2-furyl]methylene}-1-(2-phenylethyl)-1,2,5,6-tetrahydropyridine-3-carbonitrile, (5E)-4-METHYL-2,6-DIOXO-5-{[5-(1-OXO-1,3-DIHYDRO-2-BENZOFURAN-5-YL)FURAN-2-YL]METHYLIDENE}-1-(2-PHENYLETHYL)-1,2,5,6-TETRAHYDROPYRIDINE-3-CARBONITRILE, 4-methyl-2,6-dioxo-5-{[5-(1-oxo(3-hydroisobenzofuran-5-yl))(2-furyl)]methylene }-1-(2-phenylethyl)hydropyridine-3-carbonitrile
| Molecular Formula | C28H20N2O5 |
|---|---|
| Molecular Weight | 464.14 g/mol |
| LogP | 4.45198 |
| Topological Polar Surface Area | 100.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.1372 |
| Heavy Atoms | 35 |
| Complexity | 1470.4565 |
Chemical Identifiers
| CAS Number | 698988-52-2 |
|---|---|
| SMILES | CC\1=C(C(=O)N(C(=O)/C1=C/C2=CC=C(O2)C3=CC4=C(C=C3)C(=O)OC4)CCC5=CC=CC=C5)C#N |
Product Overview
(5E)-4-methyl-2,6-dioxo-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1-phenethylpyridine-3-carbonitrile (CAS 698988-52-2), with molecular formula C28H20N2O5 and molecular weight 464.14 g/mol. IUPAC: (5E)-4-methyl-2,6-dioxo-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1-(2-phenylethyl)pyridine-3-carbonitrile.
Chemical Property Profile of (5E)-4-methyl-2,6-dioxo-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1-phenethylpyridine-3-carbonitrile
Property Insights of (5E)-4-methyl-2,6-dioxo-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1-phenethylpyridine-3-carbonitrile
The XLogP value of 4.45198 indicates that (5E)-4-methyl-2,6-dioxo-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1-phenethylpyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.61 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-4-methyl-2,6-dioxo-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1-phenethylpyridine-3-carbonitrile. Following Lipinski's Rule of Five, (5E)-4-methyl-2,6-dioxo-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1-phenethylpyridine-3-carbonitrile has 0 hydrogen bond donor(s) and 6 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 (5E)-4-methyl-2,6-dioxo-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1-phenethylpyridine-3-carbonitrile?
The CAS number of (5E)-4-methyl-2,6-dioxo-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1-phenethylpyridine-3-carbonitrile is 698988-52-2.
What is the molecular formula of (5E)-4-methyl-2,6-dioxo-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1-phenethylpyridine-3-carbonitrile?
The molecular formula of (5E)-4-methyl-2,6-dioxo-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1-phenethylpyridine-3-carbonitrile is C28H20N2O5.
What is the molecular weight of (5E)-4-methyl-2,6-dioxo-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1-phenethylpyridine-3-carbonitrile?
The molecular weight of (5E)-4-methyl-2,6-dioxo-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1-phenethylpyridine-3-carbonitrile is 464.14 g/mol.
Where can I buy (5E)-4-methyl-2,6-dioxo-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1-phenethylpyridine-3-carbonitrile?
You can request a quote for (5E)-4-methyl-2,6-dioxo-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1-phenethylpyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-4-methyl-2,6-dioxo-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1-phenethylpyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (5E)-4-methyl-2,6-dioxo-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1-phenethylpyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.