![(5E)-5-[[3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-1-ethyl-4-methyl-2,6-dioxopyridine-3-carbonitrile structure](/static/products/101/1010871-07-4.png)
(5E)-5-[[3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-1-ethyl-4-methyl-2,6-dioxopyridine-3-carbonitrile
TL;DR: (5E)-5-[[3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-1-ethyl-4-methyl-2,6-dioxopyridine-3-carbonitrile (CAS 1010871-07-4) is a chemical compound with molecular formula C29H26N4O3 and molecular weight 478.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-1-ethyl-4-methyl-2,6-dioxopyridine-3-carbonitrile
Also Known As: (5E)-5-[[3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-1-ethyl-4-methyl-2,6-dioxopyridine-3-carbonitrile, (E)-5-((3-(2,7-dimethyl-2,3-dihydrobenzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl)methylene)-1-ethyl-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
| Molecular Formula | C29H26N4O3 |
|---|---|
| Molecular Weight | 478.20 g/mol |
| LogP | 4.7833 |
| Topological Polar Surface Area | 88.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 478.2005 |
| Heavy Atoms | 36 |
| Complexity | 1505.2017 |
Chemical Identifiers
| CAS Number | 1010871-07-4 |
|---|---|
| SMILES | CCN1C(=O)/C(=C/C2=CN(N=C2C3=CC4=C(C(=C3)C)OC(C4)C)C5=CC=CC=C5)/C(=C(C1=O)C#N)C |
Product Overview
(5E)-5-[[3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-1-ethyl-4-methyl-2,6-dioxopyridine-3-carbonitrile (CAS 1010871-07-4), with molecular formula C29H26N4O3 and molecular weight 478.20 g/mol. IUPAC: (5E)-5-[[3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-1-ethyl-4-methyl-2,6-dioxopyridine-3-carbonitrile.
Chemical Property Profile of (5E)-5-[[3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-1-ethyl-4-methyl-2,6-dioxopyridine-3-carbonitrile
Property Insights of (5E)-5-[[3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-1-ethyl-4-methyl-2,6-dioxopyridine-3-carbonitrile
The XLogP value of 4.7833 indicates that (5E)-5-[[3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-1-ethyl-4-methyl-2,6-dioxopyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.22 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-[[3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-1-ethyl-4-methyl-2,6-dioxopyridine-3-carbonitrile. Following Lipinski's Rule of Five, (5E)-5-[[3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-1-ethyl-4-methyl-2,6-dioxopyridine-3-carbonitrile has 0 hydrogen bond donor(s) and 5 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)-5-[[3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-1-ethyl-4-methyl-2,6-dioxopyridine-3-carbonitrile?
The CAS number of (5E)-5-[[3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-1-ethyl-4-methyl-2,6-dioxopyridine-3-carbonitrile is 1010871-07-4.
What is the molecular formula of (5E)-5-[[3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-1-ethyl-4-methyl-2,6-dioxopyridine-3-carbonitrile?
The molecular formula of (5E)-5-[[3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-1-ethyl-4-methyl-2,6-dioxopyridine-3-carbonitrile is C29H26N4O3.
What is the molecular weight of (5E)-5-[[3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-1-ethyl-4-methyl-2,6-dioxopyridine-3-carbonitrile?
The molecular weight of (5E)-5-[[3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-1-ethyl-4-methyl-2,6-dioxopyridine-3-carbonitrile is 478.20 g/mol.
Where can I buy (5E)-5-[[3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-1-ethyl-4-methyl-2,6-dioxopyridine-3-carbonitrile?
You can request a quote for (5E)-5-[[3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-1-ethyl-4-methyl-2,6-dioxopyridine-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)-5-[[3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-1-ethyl-4-methyl-2,6-dioxopyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-[[3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-1-ethyl-4-methyl-2,6-dioxopyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.