(Z)-N-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide
TL;DR: (Z)-N-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide (CAS 461706-80-9) is a chemical compound with molecular formula C17H10FN3O4S2 and molecular weight 403.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-nitrobenzamide
Also Known As: (Z)-N-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide, N-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2-nitrobenzamide, N-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-nitrobenzamide, N-{5-[(4-fluorophenyl)methylene]-4-oxo-2-thioxo(1,3-thiazolidin-3-yl)}(2-nitro phenyl)carboxamide
| Molecular Formula | C17H10FN3O4S2 |
|---|---|
| Molecular Weight | 403.01 g/mol |
| LogP | 3.2801 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.00967 |
| Heavy Atoms | 27 |
| Complexity | 991.928 |
Chemical Identifiers
| CAS Number | 461706-80-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NN2C(=O)/C(=C/C3=CC=C(C=C3)F)/SC2=S)[N+](=O)[O-] |
Product Overview
(Z)-N-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide (CAS 461706-80-9), with molecular formula C17H10FN3O4S2 and molecular weight 403.01 g/mol. IUPAC: N-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-nitrobenzamide.
Chemical Property Profile of (Z)-N-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide
Property Insights of (Z)-N-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide
The XLogP value of 3.2801 indicates that (Z)-N-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.55 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-N-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide. Following Lipinski's Rule of Five, (Z)-N-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide 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-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide?
The CAS number of (Z)-N-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide is 461706-80-9.
What is the molecular formula of (Z)-N-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide?
The molecular formula of (Z)-N-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide is C17H10FN3O4S2.
What is the molecular weight of (Z)-N-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide?
The molecular weight of (Z)-N-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide is 403.01 g/mol.
Where can I buy (Z)-N-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide?
You can request a quote for (Z)-N-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-N-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-N-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.