![4-[[5-[[4-(Carboxymethoxy)-3-ethoxyphenyl]methylene]-3-ethyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid structure](/static/products/944/944686-37-7.png)
4-[[5-[[4-(Carboxymethoxy)-3-ethoxyphenyl]methylene]-3-ethyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid
TL;DR: 4-[[5-[[4-(Carboxymethoxy)-3-ethoxyphenyl]methylene]-3-ethyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid (CAS 944686-37-7) is a chemical compound with molecular formula C23H22N2O7S and molecular weight 470.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-[[4-(carboxymethoxy)-3-ethoxyphenyl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
Also Known As: 4-[[5-[[4-(Carboxymethoxy)-3-ethoxyphenyl]methylene]-3-ethyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid, 4-[[5-[[4-(carboxymethyloxy)-3-ethoxyphenyl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
| Molecular Formula | C23H22N2O7S |
|---|---|
| Molecular Weight | 470.11 g/mol |
| LogP | 3.8708 |
| Topological Polar Surface Area | 125.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 470.11478 |
| Heavy Atoms | 33 |
| Complexity | 1126.1299 |
Chemical Identifiers
| CAS Number | 944686-37-7 |
|---|---|
| SMILES | CCN1C(=O)C(=CC2=CC(=C(C=C2)OCC(=O)O)OCC)SC1=NC3=CC=C(C=C3)C(=O)O |
Product Overview
4-[[5-[[4-(Carboxymethoxy)-3-ethoxyphenyl]methylene]-3-ethyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid (CAS 944686-37-7), with molecular formula C23H22N2O7S and molecular weight 470.11 g/mol. IUPAC: 4-[[5-[[4-(carboxymethoxy)-3-ethoxyphenyl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid.
Chemical Property Profile of 4-[[5-[[4-(Carboxymethoxy)-3-ethoxyphenyl]methylene]-3-ethyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid
Property Insights of 4-[[5-[[4-(Carboxymethoxy)-3-ethoxyphenyl]methylene]-3-ethyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid
The XLogP value of 3.8708 indicates that 4-[[5-[[4-(Carboxymethoxy)-3-ethoxyphenyl]methylene]-3-ethyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[5-[[4-(Carboxymethoxy)-3-ethoxyphenyl]methylene]-3-ethyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid. Following Lipinski's Rule of Five, 4-[[5-[[4-(Carboxymethoxy)-3-ethoxyphenyl]methylene]-3-ethyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid has 2 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 4-[[5-[[4-(Carboxymethoxy)-3-ethoxyphenyl]methylene]-3-ethyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid?
The CAS number of 4-[[5-[[4-(Carboxymethoxy)-3-ethoxyphenyl]methylene]-3-ethyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid is 944686-37-7.
What is the molecular formula of 4-[[5-[[4-(Carboxymethoxy)-3-ethoxyphenyl]methylene]-3-ethyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid?
The molecular formula of 4-[[5-[[4-(Carboxymethoxy)-3-ethoxyphenyl]methylene]-3-ethyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid is C23H22N2O7S.
What is the molecular weight of 4-[[5-[[4-(Carboxymethoxy)-3-ethoxyphenyl]methylene]-3-ethyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid?
The molecular weight of 4-[[5-[[4-(Carboxymethoxy)-3-ethoxyphenyl]methylene]-3-ethyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid is 470.11 g/mol.
Where can I buy 4-[[5-[[4-(Carboxymethoxy)-3-ethoxyphenyl]methylene]-3-ethyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid?
You can request a quote for 4-[[5-[[4-(Carboxymethoxy)-3-ethoxyphenyl]methylene]-3-ethyl-4-oxo-2-thiazolidinylidene]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-[[5-[[4-(Carboxymethoxy)-3-ethoxyphenyl]methylene]-3-ethyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[5-[[4-(Carboxymethoxy)-3-ethoxyphenyl]methylene]-3-ethyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.