![(5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-5-[(5-methylfuran-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile structure](/static/products/877/877802-77-2.png)
(5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-5-[(5-methylfuran-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile
TL;DR: (5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-5-[(5-methylfuran-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile (CAS 877802-77-2) is a chemical compound with molecular formula C17H16N2O5S and molecular weight 360.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-5-[(5-methylfuran-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile
Also Known As: (5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-5-[(5-methylfuran-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile, (Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-5-((5-methylfuran-2-yl)methylene)-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile, 1-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-4-methyl-5-[1-(5-methyl-furan-2-yl)-meth-(Z)-ylidene] -2,6-dioxo-1,2,5,6-tetrahydro-pyridine-3-carbonitrile, (5Z)-1-(1,1-diketothiolan-3-yl)-2,6-diketo-4-methyl-5-[(5-methyl-2-furyl)methylene]nicotinonitrile, (5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-5-[(5-methylfuran-2-yl)methylidene]-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
| Molecular Formula | C17H16N2O5S |
|---|---|
| Molecular Weight | 360.08 g/mol |
| LogP | 1.3674 |
| Topological Polar Surface Area | 108.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 360.078 |
| Heavy Atoms | 25 |
| Complexity | 974.9218 |
Chemical Identifiers
| CAS Number | 877802-77-2 |
|---|---|
| SMILES | CC1=CC=C(O1)/C=C\2/C(=C(C(=O)N(C2=O)C3CCS(=O)(=O)C3)C#N)C |
Product Overview
(5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-5-[(5-methylfuran-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile (CAS 877802-77-2), with molecular formula C17H16N2O5S and molecular weight 360.08 g/mol. IUPAC: (5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-5-[(5-methylfuran-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile.
Chemical Property Profile of (5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-5-[(5-methylfuran-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile
Property Insights of (5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-5-[(5-methylfuran-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile
The XLogP value of 1.3674 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-5-[(5-methylfuran-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile. The TPSA of 108.45 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-5-[(5-methylfuran-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile. Following Lipinski's Rule of Five, (5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-5-[(5-methylfuran-2-yl)methylidene]-2,6-dioxopyridine-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 (5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-5-[(5-methylfuran-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile?
The CAS number of (5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-5-[(5-methylfuran-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile is 877802-77-2.
What is the molecular formula of (5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-5-[(5-methylfuran-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile?
The molecular formula of (5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-5-[(5-methylfuran-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile is C17H16N2O5S.
What is the molecular weight of (5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-5-[(5-methylfuran-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile?
The molecular weight of (5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-5-[(5-methylfuran-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile is 360.08 g/mol.
Where can I buy (5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-5-[(5-methylfuran-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile?
You can request a quote for (5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-5-[(5-methylfuran-2-yl)methylidene]-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 (5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-5-[(5-methylfuran-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-5-[(5-methylfuran-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.