(E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(5-(3-fluorobenzylidene)-2,4-dioxothiazolidin-3-yl)-N-methylpropanamide
TL;DR: (E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(5-(3-fluorobenzylidene)-2,4-dioxothiazolidin-3-yl)-N-methylpropanamide (CAS 904508-02-7) is a chemical compound with molecular formula C18H19FN2O5S2 and molecular weight 426.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,1-dioxothiolan-3-yl)-3-[(5E)-5-[(3-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-methylpropanamide
Also Known As: (E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(5-(3-fluorobenzylidene)-2,4-dioxothiazolidin-3-yl)-N-methylpropanamide, N-(1,1-dioxothiolan-3-yl)-3-[(5E)-5-[(3-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-methylpropanamide
| Molecular Formula | C18H19FN2O5S2 |
|---|---|
| Molecular Weight | 426.07 g/mol |
| LogP | 1.8976 |
| Topological Polar Surface Area | 91.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.07193 |
| Heavy Atoms | 28 |
| Complexity | 960.4776 |
Chemical Identifiers
| CAS Number | 904508-02-7 |
|---|---|
| SMILES | CN(C1CCS(=O)(=O)C1)C(=O)CCN2C(=O)/C(=C\C3=CC(=CC=C3)F)/SC2=O |
Product Overview
(E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(5-(3-fluorobenzylidene)-2,4-dioxothiazolidin-3-yl)-N-methylpropanamide (CAS 904508-02-7), with molecular formula C18H19FN2O5S2 and molecular weight 426.07 g/mol. IUPAC: N-(1,1-dioxothiolan-3-yl)-3-[(5E)-5-[(3-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-methylpropanamide.
Chemical Property Profile of (E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(5-(3-fluorobenzylidene)-2,4-dioxothiazolidin-3-yl)-N-methylpropanamide
Property Insights of (E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(5-(3-fluorobenzylidene)-2,4-dioxothiazolidin-3-yl)-N-methylpropanamide
The XLogP value of 1.8976 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(5-(3-fluorobenzylidene)-2,4-dioxothiazolidin-3-yl)-N-methylpropanamide. The TPSA of 91.83 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(5-(3-fluorobenzylidene)-2,4-dioxothiazolidin-3-yl)-N-methylpropanamide. Following Lipinski's Rule of Five, (E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(5-(3-fluorobenzylidene)-2,4-dioxothiazolidin-3-yl)-N-methylpropanamide 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 (E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(5-(3-fluorobenzylidene)-2,4-dioxothiazolidin-3-yl)-N-methylpropanamide?
The CAS number of (E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(5-(3-fluorobenzylidene)-2,4-dioxothiazolidin-3-yl)-N-methylpropanamide is 904508-02-7.
What is the molecular formula of (E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(5-(3-fluorobenzylidene)-2,4-dioxothiazolidin-3-yl)-N-methylpropanamide?
The molecular formula of (E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(5-(3-fluorobenzylidene)-2,4-dioxothiazolidin-3-yl)-N-methylpropanamide is C18H19FN2O5S2.
What is the molecular weight of (E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(5-(3-fluorobenzylidene)-2,4-dioxothiazolidin-3-yl)-N-methylpropanamide?
The molecular weight of (E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(5-(3-fluorobenzylidene)-2,4-dioxothiazolidin-3-yl)-N-methylpropanamide is 426.07 g/mol.
Where can I buy (E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(5-(3-fluorobenzylidene)-2,4-dioxothiazolidin-3-yl)-N-methylpropanamide?
You can request a quote for (E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(5-(3-fluorobenzylidene)-2,4-dioxothiazolidin-3-yl)-N-methylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(5-(3-fluorobenzylidene)-2,4-dioxothiazolidin-3-yl)-N-methylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(5-(3-fluorobenzylidene)-2,4-dioxothiazolidin-3-yl)-N-methylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.