![3-({(2Z,5E)-5-[4-(dimethylamino)-3-nitrobenzylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoic acid structure](/static/products/591/591763-92-7.png)
3-({(2Z,5E)-5-[4-(dimethylamino)-3-nitrobenzylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoic acid
TL;DR: 3-({(2Z,5E)-5-[4-(dimethylamino)-3-nitrobenzylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoic acid (CAS 591763-92-7) is a chemical compound with molecular formula C21H20N4O5S and molecular weight 440.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(5E)-5-[[4-(dimethylamino)-3-nitrophenyl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
Also Known As: 3-({(2Z,5E)-5-[4-(dimethylamino)-3-nitrobenzylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoic acid, 3-((Z)-((E)-5-(4-(dimethylamino)-3-nitrobenzylidene)-3-ethyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid, 3-[[(5E)-5-[[4-(dimethylamino)-3-nitrophenyl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
| Molecular Formula | C21H20N4O5S |
|---|---|
| Molecular Weight | 440.12 g/mol |
| LogP | 3.9829 |
| Topological Polar Surface Area | 116.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.11545 |
| Heavy Atoms | 31 |
| Complexity | 1126.5032 |
Chemical Identifiers
| CAS Number | 591763-92-7 |
|---|---|
| SMILES | CCN1C(=O)/C(=C\C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-])/SC1=NC3=CC=CC(=C3)C(=O)O |
Product Overview
3-({(2Z,5E)-5-[4-(dimethylamino)-3-nitrobenzylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoic acid (CAS 591763-92-7), with molecular formula C21H20N4O5S and molecular weight 440.12 g/mol. IUPAC: 3-[[(5E)-5-[[4-(dimethylamino)-3-nitrophenyl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid.
Chemical Property Profile of 3-({(2Z,5E)-5-[4-(dimethylamino)-3-nitrobenzylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoic acid
Property Insights of 3-({(2Z,5E)-5-[4-(dimethylamino)-3-nitrobenzylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoic acid
The XLogP value of 3.9829 indicates that 3-({(2Z,5E)-5-[4-(dimethylamino)-3-nitrobenzylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({(2Z,5E)-5-[4-(dimethylamino)-3-nitrobenzylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoic acid. Following Lipinski's Rule of Five, 3-({(2Z,5E)-5-[4-(dimethylamino)-3-nitrobenzylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoic acid has 1 hydrogen bond donor(s) and 7 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 3-({(2Z,5E)-5-[4-(dimethylamino)-3-nitrobenzylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoic acid?
The CAS number of 3-({(2Z,5E)-5-[4-(dimethylamino)-3-nitrobenzylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoic acid is 591763-92-7.
What is the molecular formula of 3-({(2Z,5E)-5-[4-(dimethylamino)-3-nitrobenzylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoic acid?
The molecular formula of 3-({(2Z,5E)-5-[4-(dimethylamino)-3-nitrobenzylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoic acid is C21H20N4O5S.
What is the molecular weight of 3-({(2Z,5E)-5-[4-(dimethylamino)-3-nitrobenzylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoic acid?
The molecular weight of 3-({(2Z,5E)-5-[4-(dimethylamino)-3-nitrobenzylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoic acid is 440.12 g/mol.
Where can I buy 3-({(2Z,5E)-5-[4-(dimethylamino)-3-nitrobenzylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoic acid?
You can request a quote for 3-({(2Z,5E)-5-[4-(dimethylamino)-3-nitrobenzylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-({(2Z,5E)-5-[4-(dimethylamino)-3-nitrobenzylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({(2Z,5E)-5-[4-(dimethylamino)-3-nitrobenzylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.