![3-[(5-{3-Nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic acid structure](/static/products/4881/488103-71-5.webp)
3-[(5-{3-Nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic acid
TL;DR: 3-[(5-{3-Nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic acid (CAS 488103-71-5) 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-[(3-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid
Also Known As: 3-[(5-{3-nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic acid, AT-057/40872509, 3-[[(5E)-5-[(3-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid, (E)-3-((5-(3-nitrobenzylidene)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid, 3-({5-[(3-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 | 488103-71-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)CN2C(=O)/C(=C\C3=CC(=CC=C3)[N+](=O)[O-])/SC2=O |
Product Overview
3-[(5-{3-Nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic acid (CAS 488103-71-5), with molecular formula C18H12N2O6S and molecular weight 384.04 g/mol. IUPAC: 3-[[(5E)-5-[(3-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid.
Chemical Property Profile of 3-[(5-{3-Nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic acid
Property Insights of 3-[(5-{3-Nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic acid
The XLogP value of 3.5295 indicates that 3-[(5-{3-Nitrobenzylidene}-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-[(5-{3-Nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic acid. Following Lipinski's Rule of Five, 3-[(5-{3-Nitrobenzylidene}-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-[(5-{3-Nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic acid?
The CAS number of 3-[(5-{3-Nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic acid is 488103-71-5.
What is the molecular formula of 3-[(5-{3-Nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic acid?
The molecular formula of 3-[(5-{3-Nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic acid is C18H12N2O6S.
What is the molecular weight of 3-[(5-{3-Nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic acid?
The molecular weight of 3-[(5-{3-Nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic acid is 384.04 g/mol.
Where can I buy 3-[(5-{3-Nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic acid?
You can request a quote for 3-[(5-{3-Nitrobenzylidene}-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-[(5-{3-Nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(5-{3-Nitrobenzylidene}-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.