![(5Z)-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-5-[2-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)hydrazinylidene]-1,2,5,6-tetrahydropyridine-3-carbonitrile structure](/static/products/676/676441-82-0.png)
(5Z)-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-5-[2-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)hydrazinylidene]-1,2,5,6-tetrahydropyridine-3-carbonitrile
TL;DR: (5Z)-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-5-[2-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)hydrazinylidene]-1,2,5,6-tetrahydropyridine-3-carbonitrile (CAS 676441-82-0) is a chemical compound with molecular formula C17H14N4O5 and molecular weight 354.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxo-5-[(1-oxo-3H-2-benzofuran-5-yl)diazenyl]pyridine-3-carbonitrile
Also Known As: (5Z)-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-5-[2-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)hydrazinylidene]-1,2,5,6-tetrahydropyridine-3-carbonitrile, (E)-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-5-(2-(1-oxo-1,3-dihydroisobenzofuran-5-yl)hydrazono)-1,2,5,6-tetrahydropyridine-3-carbonitrile, 1-(2-Hydroxy-ethyl)-4-methyl-2,6-dioxo-5-[(1-oxo-1,3-dihydro-isobenzofuran-5-yl)-hydrazono]-1,2,5,6-tet rahydro-pyridine-3-carbonitrile, 1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-5-[(1-oxo-3H-2-benzofuran-5-yl)hydrazinylidene]pyridine-3-carbonitrile
| Molecular Formula | C17H14N4O5 |
|---|---|
| Molecular Weight | 354.10 g/mol |
| LogP | 1.8121 |
| Topological Polar Surface Area | 137.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.0964 |
| Heavy Atoms | 26 |
| Complexity | 1032.9146 |
Chemical Identifiers
| CAS Number | 676441-82-0 |
|---|---|
| SMILES | CC1=C(C(=O)N(C(=C1C#N)O)CCO)N=NC2=CC3=C(C=C2)C(=O)OC3 |
Product Overview
(5Z)-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-5-[2-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)hydrazinylidene]-1,2,5,6-tetrahydropyridine-3-carbonitrile (CAS 676441-82-0), with molecular formula C17H14N4O5 and molecular weight 354.10 g/mol. IUPAC: 2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxo-5-[(1-oxo-3H-2-benzofuran-5-yl)diazenyl]pyridine-3-carbonitrile.
Chemical Property Profile of (5Z)-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-5-[2-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)hydrazinylidene]-1,2,5,6-tetrahydropyridine-3-carbonitrile
Property Insights of (5Z)-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-5-[2-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)hydrazinylidene]-1,2,5,6-tetrahydropyridine-3-carbonitrile
The XLogP value of 1.8121 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5Z)-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-5-[2-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)hydrazinylidene]-1,2,5,6-tetrahydropyridine-3-carbonitrile. The TPSA of 137.27 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-5-[2-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)hydrazinylidene]-1,2,5,6-tetrahydropyridine-3-carbonitrile. Following Lipinski's Rule of Five, (5Z)-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-5-[2-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)hydrazinylidene]-1,2,5,6-tetrahydropyridine-3-carbonitrile has 2 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 (5Z)-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-5-[2-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)hydrazinylidene]-1,2,5,6-tetrahydropyridine-3-carbonitrile?
The CAS number of (5Z)-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-5-[2-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)hydrazinylidene]-1,2,5,6-tetrahydropyridine-3-carbonitrile is 676441-82-0.
What is the molecular formula of (5Z)-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-5-[2-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)hydrazinylidene]-1,2,5,6-tetrahydropyridine-3-carbonitrile?
The molecular formula of (5Z)-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-5-[2-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)hydrazinylidene]-1,2,5,6-tetrahydropyridine-3-carbonitrile is C17H14N4O5.
What is the molecular weight of (5Z)-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-5-[2-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)hydrazinylidene]-1,2,5,6-tetrahydropyridine-3-carbonitrile?
The molecular weight of (5Z)-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-5-[2-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)hydrazinylidene]-1,2,5,6-tetrahydropyridine-3-carbonitrile is 354.10 g/mol.
Where can I buy (5Z)-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-5-[2-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)hydrazinylidene]-1,2,5,6-tetrahydropyridine-3-carbonitrile?
You can request a quote for (5Z)-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-5-[2-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)hydrazinylidene]-1,2,5,6-tetrahydropyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5Z)-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-5-[2-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)hydrazinylidene]-1,2,5,6-tetrahydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-5-[2-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)hydrazinylidene]-1,2,5,6-tetrahydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.