![3-[[(5E)-5-[(2-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid structure](/static/products/4970/497082-22-1.webp)
3-[[(5E)-5-[(2-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid
TL;DR: 3-[[(5E)-5-[(2-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid (CAS 497082-22-1) is a chemical compound with molecular formula C18H12N2O6S and molecular weight 384.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(5E)-5-[(2-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid
Also Known As: 3-[[(5E)-5-[(2-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid, AT-057/40872508, 3-[(5-{2-nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic acid, (E)-3-((5-(2-nitrobenzylidene)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid, 3-({5-[(2-nitrophenyl)methylene]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid
| Molecular Formula | C18H12N2O6S |
|---|---|
| Molecular Weight | 384.04 g/mol |
| LogP | 3.5295 |
| Topological Polar Surface Area | 117.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.0416 |
| Heavy Atoms | 27 |
| Complexity | 1000.8513 |
Chemical Identifiers
| CAS Number | 497082-22-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C/2\C(=O)N(C(=O)S2)CC3=CC(=CC=C3)C(=O)O)[N+](=O)[O-] |
Product Overview
3-[[(5E)-5-[(2-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid (CAS 497082-22-1), with molecular formula C18H12N2O6S and molecular weight 384.04 g/mol. IUPAC: 3-[[(5E)-5-[(2-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid.
Chemical Property Profile of 3-[[(5E)-5-[(2-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid
Property Insights of 3-[[(5E)-5-[(2-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid
The XLogP value of 3.5295 indicates that 3-[[(5E)-5-[(2-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[(5E)-5-[(2-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid. Following Lipinski's Rule of Five, 3-[[(5E)-5-[(2-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]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 3-[[(5E)-5-[(2-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid?
The CAS number of 3-[[(5E)-5-[(2-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid is 497082-22-1.
What is the molecular formula of 3-[[(5E)-5-[(2-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid?
The molecular formula of 3-[[(5E)-5-[(2-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid is C18H12N2O6S.
What is the molecular weight of 3-[[(5E)-5-[(2-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid?
The molecular weight of 3-[[(5E)-5-[(2-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid is 384.04 g/mol.
Where can I buy 3-[[(5E)-5-[(2-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid?
You can request a quote for 3-[[(5E)-5-[(2-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]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-[[(5E)-5-[(2-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[(5E)-5-[(2-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.