(Z)-5-(4-(dimethylamino)benzylidene)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
TL;DR: (Z)-5-(4-(dimethylamino)benzylidene)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile (CAS 850192-44-8) is a chemical compound with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxopyridine-3-carbonitrile
Also Known As: (Z)-5-(4-(dimethylamino)benzylidene)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile, (5Z)-5-[(4-dimethylaminophenyl)methylidene]-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxopyridine-3-carbonitrile, (5Z)-5-[4-(dimethylamino)benzylidene]-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
| Molecular Formula | C20H21N3O4S |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 1.53198 |
| Topological Polar Surface Area | 98.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.12527 |
| Heavy Atoms | 28 |
| Complexity | 1043.9169 |
Chemical Identifiers
| CAS Number | 850192-44-8 |
|---|---|
| SMILES | CC\1=C(C(=O)N(C(=O)/C1=C\C2=CC=C(C=C2)N(C)C)C3CCS(=O)(=O)C3)C#N |
Product Overview
(Z)-5-(4-(dimethylamino)benzylidene)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile (CAS 850192-44-8), with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol. IUPAC: (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxopyridine-3-carbonitrile.
Chemical Property Profile of (Z)-5-(4-(dimethylamino)benzylidene)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Property Insights of (Z)-5-(4-(dimethylamino)benzylidene)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
The XLogP value of 1.53198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-5-(4-(dimethylamino)benzylidene)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile. The TPSA of 98.55 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-5-(4-(dimethylamino)benzylidene)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile. Following Lipinski's Rule of Five, (Z)-5-(4-(dimethylamino)benzylidene)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-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 (Z)-5-(4-(dimethylamino)benzylidene)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile?
The CAS number of (Z)-5-(4-(dimethylamino)benzylidene)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile is 850192-44-8.
What is the molecular formula of (Z)-5-(4-(dimethylamino)benzylidene)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile?
The molecular formula of (Z)-5-(4-(dimethylamino)benzylidene)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile is C20H21N3O4S.
What is the molecular weight of (Z)-5-(4-(dimethylamino)benzylidene)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile?
The molecular weight of (Z)-5-(4-(dimethylamino)benzylidene)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile is 399.13 g/mol.
Where can I buy (Z)-5-(4-(dimethylamino)benzylidene)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile?
You can request a quote for (Z)-5-(4-(dimethylamino)benzylidene)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-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 (Z)-5-(4-(dimethylamino)benzylidene)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-5-(4-(dimethylamino)benzylidene)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-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.