![N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-[(5Z)-5-(3-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide structure](/static/products/902/902018-50-2.png)
N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-[(5Z)-5-(3-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide
TL;DR: N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-[(5Z)-5-(3-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide (CAS 902018-50-2) is a chemical compound with molecular formula C18H17FN2O4S3 and molecular weight 440.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-[(5Z)-5-[(3-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
Also Known As: N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-[(5Z)-5-(3-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide, (Z)-N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-(5-(3-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide, N-(1,1-dioxo(3-2,3-dihydrothienyl))-4-{5-[(3-fluorophenyl)methylene]-4-oxo-2-t hioxo(1,3-thiazolidin-3-yl)}butanamide, N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-[(5Z)-5-[(3-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
| Molecular Formula | C18H17FN2O4S3 |
|---|---|
| Molecular Weight | 440.03 g/mol |
| LogP | 2.234 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.03345 |
| Heavy Atoms | 28 |
| Complexity | 988.2998 |
Chemical Identifiers
| CAS Number | 902018-50-2 |
|---|---|
| SMILES | C1C(C=CS1(=O)=O)NC(=O)CCCN2C(=O)/C(=C/C3=CC(=CC=C3)F)/SC2=S |
Product Overview
N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-[(5Z)-5-(3-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide (CAS 902018-50-2), with molecular formula C18H17FN2O4S3 and molecular weight 440.03 g/mol. IUPAC: N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-[(5Z)-5-[(3-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide.
Chemical Property Profile of N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-[(5Z)-5-(3-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide
Property Insights of N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-[(5Z)-5-(3-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide
The XLogP value of 2.234 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-[(5Z)-5-(3-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-[(5Z)-5-(3-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide. Following Lipinski's Rule of Five, N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-[(5Z)-5-(3-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide has 1 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 N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-[(5Z)-5-(3-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide?
The CAS number of N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-[(5Z)-5-(3-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide is 902018-50-2.
What is the molecular formula of N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-[(5Z)-5-(3-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide?
The molecular formula of N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-[(5Z)-5-(3-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide is C18H17FN2O4S3.
What is the molecular weight of N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-[(5Z)-5-(3-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide?
The molecular weight of N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-[(5Z)-5-(3-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide is 440.03 g/mol.
Where can I buy N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-[(5Z)-5-(3-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide?
You can request a quote for N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-[(5Z)-5-(3-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-[(5Z)-5-(3-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-[(5Z)-5-(3-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.