![(5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-[3-ethoxy-4-(3-methylbutoxy)benzylidene]-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile structure](/static/products/877/877790-02-8.png)
(5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-[3-ethoxy-4-(3-methylbutoxy)benzylidene]-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
TL;DR: (5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-[3-ethoxy-4-(3-methylbutoxy)benzylidene]-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile (CAS 877790-02-8) is a chemical compound with molecular formula C25H30N2O6S and molecular weight 486.18 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)-5-[[3-ethoxy-4-(3-methylbutoxy)phenyl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
Also Known As: (5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-[3-ethoxy-4-(3-methylbutoxy)benzylidene]-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile, (5Z)-1-(1,1-dioxothiolan-3-yl)-5-[[3-ethoxy-4-(3-methylbutoxy)phenyl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile, (Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(3-ethoxy-4-(isopentyloxy)benzylidene)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile, 1-(1,1-dioxo-1lambda6-thiolan-3-yl)-5-{[3-ethoxy-4-(3-methylbutoxy)phenyl]methylidene}-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
| Molecular Formula | C25H30N2O6S |
|---|---|
| Molecular Weight | 486.18 g/mol |
| LogP | 3.28958 |
| Topological Polar Surface Area | 113.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 486.18246 |
| Heavy Atoms | 34 |
| Complexity | 1190.248 |
Chemical Identifiers
| CAS Number | 877790-02-8 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C\2/C(=C(C(=O)N(C2=O)C3CCS(=O)(=O)C3)C#N)C)OCCC(C)C |
Product Overview
(5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-[3-ethoxy-4-(3-methylbutoxy)benzylidene]-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile (CAS 877790-02-8), with molecular formula C25H30N2O6S and molecular weight 486.18 g/mol. IUPAC: (5Z)-1-(1,1-dioxothiolan-3-yl)-5-[[3-ethoxy-4-(3-methylbutoxy)phenyl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile.
Chemical Property Profile of (5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-[3-ethoxy-4-(3-methylbutoxy)benzylidene]-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Property Insights of (5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-[3-ethoxy-4-(3-methylbutoxy)benzylidene]-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
The XLogP value of 3.28958 indicates that (5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-[3-ethoxy-4-(3-methylbutoxy)benzylidene]-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.77 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-[3-ethoxy-4-(3-methylbutoxy)benzylidene]-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile. Following Lipinski's Rule of Five, (5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-[3-ethoxy-4-(3-methylbutoxy)benzylidene]-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile has 0 hydrogen bond donor(s) and 7 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-dioxidotetrahydrothiophen-3-yl)-5-[3-ethoxy-4-(3-methylbutoxy)benzylidene]-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile?
The CAS number of (5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-[3-ethoxy-4-(3-methylbutoxy)benzylidene]-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile is 877790-02-8.
What is the molecular formula of (5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-[3-ethoxy-4-(3-methylbutoxy)benzylidene]-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile?
The molecular formula of (5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-[3-ethoxy-4-(3-methylbutoxy)benzylidene]-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile is C25H30N2O6S.
What is the molecular weight of (5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-[3-ethoxy-4-(3-methylbutoxy)benzylidene]-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile?
The molecular weight of (5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-[3-ethoxy-4-(3-methylbutoxy)benzylidene]-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile is 486.18 g/mol.
Where can I buy (5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-[3-ethoxy-4-(3-methylbutoxy)benzylidene]-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile?
You can request a quote for (5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-[3-ethoxy-4-(3-methylbutoxy)benzylidene]-4-methyl-2,6-dioxo-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-(1,1-dioxidotetrahydrothiophen-3-yl)-5-[3-ethoxy-4-(3-methylbutoxy)benzylidene]-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-[3-ethoxy-4-(3-methylbutoxy)benzylidene]-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.