(Z)-N-(5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-nitrobenzamide
TL;DR: (Z)-N-(5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-nitrobenzamide (CAS 612802-86-5) is a chemical compound with molecular formula C20H17N3O6S2 and molecular weight 459.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-nitrobenzamide
Also Known As: (Z)-N-(5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-nitrobenzamide, N-[(5Z)-5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-3-nitrobenzamide, N-[(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-nitrobenzamide, N-{5-[(4-ethoxy-3-methoxyphenyl)methylene]-4-oxo-2-thioxo(1,3-thiazolidin-3-yl )}(3-nitrophenyl)carboxamide
| Molecular Formula | C20H17N3O6S2 |
|---|---|
| Molecular Weight | 459.06 g/mol |
| LogP | 3.5483 |
| Topological Polar Surface Area | 111.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.05588 |
| Heavy Atoms | 31 |
| Complexity | 1102.0728 |
Chemical Identifiers
| CAS Number | 612802-86-5 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC |
Product Overview
(Z)-N-(5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-nitrobenzamide (CAS 612802-86-5), with molecular formula C20H17N3O6S2 and molecular weight 459.06 g/mol. IUPAC: N-[(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-nitrobenzamide.
Chemical Property Profile of (Z)-N-(5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-nitrobenzamide
Property Insights of (Z)-N-(5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-nitrobenzamide
The XLogP value of 3.5483 indicates that (Z)-N-(5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.01 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-N-(5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-nitrobenzamide. Following Lipinski's Rule of Five, (Z)-N-(5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-nitrobenzamide has 1 hydrogen bond donor(s) and 8 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-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-nitrobenzamide?
The CAS number of (Z)-N-(5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-nitrobenzamide is 612802-86-5.
What is the molecular formula of (Z)-N-(5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-nitrobenzamide?
The molecular formula of (Z)-N-(5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-nitrobenzamide is C20H17N3O6S2.
What is the molecular weight of (Z)-N-(5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-nitrobenzamide?
The molecular weight of (Z)-N-(5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-nitrobenzamide is 459.06 g/mol.
Where can I buy (Z)-N-(5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-nitrobenzamide?
You can request a quote for (Z)-N-(5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-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-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-N-(5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.