![4-{[(2Z,5E)-3-ethyl-5-(4-methyl-3-nitrobenzylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid structure](/static/products/6922/692265-84-2.webp)
4-{[(2Z,5E)-3-ethyl-5-(4-methyl-3-nitrobenzylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid
TL;DR: 4-{[(2Z,5E)-3-ethyl-5-(4-methyl-3-nitrobenzylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid (CAS 692265-84-2) is a chemical compound with molecular formula C20H17N3O5S and molecular weight 411.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(5E)-3-ethyl-5-[(4-methyl-3-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
Also Known As: 4-{[(2Z,5E)-3-ethyl-5-(4-methyl-3-nitrobenzylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid, 4-((Z)-((E)-3-ethyl-5-(4-methyl-3-nitrobenzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid, 4-[[(5E)-3-ethyl-5-[(4-methyl-3-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
| Molecular Formula | C20H17N3O5S |
|---|---|
| Molecular Weight | 411.09 g/mol |
| LogP | 4.22532 |
| Topological Polar Surface Area | 113.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.0889 |
| Heavy Atoms | 29 |
| Complexity | 1060.2864 |
Chemical Identifiers
| CAS Number | 692265-84-2 |
|---|---|
| SMILES | CCN1C(=O)/C(=C\C2=CC(=C(C=C2)C)[N+](=O)[O-])/SC1=NC3=CC=C(C=C3)C(=O)O |
Product Overview
4-{[(2Z,5E)-3-ethyl-5-(4-methyl-3-nitrobenzylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid (CAS 692265-84-2), with molecular formula C20H17N3O5S and molecular weight 411.09 g/mol. IUPAC: 4-[[(5E)-3-ethyl-5-[(4-methyl-3-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid.
Chemical Property Profile of 4-{[(2Z,5E)-3-ethyl-5-(4-methyl-3-nitrobenzylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid
Property Insights of 4-{[(2Z,5E)-3-ethyl-5-(4-methyl-3-nitrobenzylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid
The XLogP value of 4.22532 indicates that 4-{[(2Z,5E)-3-ethyl-5-(4-methyl-3-nitrobenzylidene)-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 113.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(2Z,5E)-3-ethyl-5-(4-methyl-3-nitrobenzylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid. Following Lipinski's Rule of Five, 4-{[(2Z,5E)-3-ethyl-5-(4-methyl-3-nitrobenzylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid 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 4-{[(2Z,5E)-3-ethyl-5-(4-methyl-3-nitrobenzylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid?
The CAS number of 4-{[(2Z,5E)-3-ethyl-5-(4-methyl-3-nitrobenzylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid is 692265-84-2.
What is the molecular formula of 4-{[(2Z,5E)-3-ethyl-5-(4-methyl-3-nitrobenzylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid?
The molecular formula of 4-{[(2Z,5E)-3-ethyl-5-(4-methyl-3-nitrobenzylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid is C20H17N3O5S.
What is the molecular weight of 4-{[(2Z,5E)-3-ethyl-5-(4-methyl-3-nitrobenzylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid?
The molecular weight of 4-{[(2Z,5E)-3-ethyl-5-(4-methyl-3-nitrobenzylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid is 411.09 g/mol.
Where can I buy 4-{[(2Z,5E)-3-ethyl-5-(4-methyl-3-nitrobenzylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid?
You can request a quote for 4-{[(2Z,5E)-3-ethyl-5-(4-methyl-3-nitrobenzylidene)-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 4-{[(2Z,5E)-3-ethyl-5-(4-methyl-3-nitrobenzylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(2Z,5E)-3-ethyl-5-(4-methyl-3-nitrobenzylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.