(Z)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide
TL;DR: (Z)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide (CAS 902016-80-2) is a chemical compound with molecular formula C18H19FN2O4S3 and molecular weight 442.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,1-dioxothiolan-3-yl)-4-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
Also Known As: (Z)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide, N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide, N-(1,1-dioxothiolan-3-yl)-4-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
| Molecular Formula | C18H19FN2O4S3 |
|---|---|
| Molecular Weight | 442.05 g/mol |
| LogP | 2.1104 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.0491 |
| Heavy Atoms | 28 |
| Complexity | 928.65405 |
Chemical Identifiers
| CAS Number | 902016-80-2 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1NC(=O)CCCN2C(=O)/C(=C/C3=CC=C(C=C3)F)/SC2=S |
Product Overview
(Z)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide (CAS 902016-80-2), with molecular formula C18H19FN2O4S3 and molecular weight 442.05 g/mol. IUPAC: N-(1,1-dioxothiolan-3-yl)-4-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide.
Chemical Property Profile of (Z)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide
Property Insights of (Z)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide
The XLogP value of 2.1104 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide. Following Lipinski's Rule of Five, (Z)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-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 (Z)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide?
The CAS number of (Z)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide is 902016-80-2.
What is the molecular formula of (Z)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide?
The molecular formula of (Z)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide is C18H19FN2O4S3.
What is the molecular weight of (Z)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide?
The molecular weight of (Z)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide is 442.05 g/mol.
Where can I buy (Z)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide?
You can request a quote for (Z)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-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 (Z)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.