![1-(1,1-dioxothiolan-3-yl)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile structure](/static/products/850/850752-17-9.png)
1-(1,1-dioxothiolan-3-yl)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
TL;DR: 1-(1,1-dioxothiolan-3-yl)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile (CAS 850752-17-9) is a chemical compound with molecular formula C22H17FN2O5S and molecular weight 440.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,1-dioxothiolan-3-yl)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
Also Known As: 1-(1,1-dioxothiolan-3-yl)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile, 1-(1,1-dioxo-1lambda6-thiolan-3-yl)-5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
| Molecular Formula | C22H17FN2O5S |
|---|---|
| Molecular Weight | 440.08 g/mol |
| LogP | 2.86508 |
| Topological Polar Surface Area | 108.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 440.08423 |
| Heavy Atoms | 31 |
| Complexity | 1296.1112 |
Chemical Identifiers
| CAS Number | 850752-17-9 |
|---|---|
| SMILES | CC1=C(C(=O)N(C(=O)C1=CC2=CC=C(O2)C3=CC=C(C=C3)F)C4CCS(=O)(=O)C4)C#N |
Product Overview
1-(1,1-dioxothiolan-3-yl)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile (CAS 850752-17-9), with molecular formula C22H17FN2O5S and molecular weight 440.08 g/mol. IUPAC: 1-(1,1-dioxothiolan-3-yl)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile.
Chemical Property Profile of 1-(1,1-dioxothiolan-3-yl)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
Property Insights of 1-(1,1-dioxothiolan-3-yl)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
The XLogP value of 2.86508 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,1-dioxothiolan-3-yl)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile. The TPSA of 108.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,1-dioxothiolan-3-yl)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile. Following Lipinski's Rule of Five, 1-(1,1-dioxothiolan-3-yl)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-methyl-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 1-(1,1-dioxothiolan-3-yl)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile?
The CAS number of 1-(1,1-dioxothiolan-3-yl)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile is 850752-17-9.
What is the molecular formula of 1-(1,1-dioxothiolan-3-yl)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile?
The molecular formula of 1-(1,1-dioxothiolan-3-yl)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile is C22H17FN2O5S.
What is the molecular weight of 1-(1,1-dioxothiolan-3-yl)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile?
The molecular weight of 1-(1,1-dioxothiolan-3-yl)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile is 440.08 g/mol.
Where can I buy 1-(1,1-dioxothiolan-3-yl)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile?
You can request a quote for 1-(1,1-dioxothiolan-3-yl)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-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 1-(1,1-dioxothiolan-3-yl)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,1-dioxothiolan-3-yl)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.