![4-[(E)-(3-{2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid structure](/static/products/4319/431992-15-3.webp)
4-[(E)-(3-{2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
TL;DR: 4-[(E)-(3-{2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid (CAS 431992-15-3) is a chemical compound with molecular formula C21H18N2O5S and molecular weight 410.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-[3-[2-(3,4-dimethylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
Also Known As: 4-[(E)-(3-{2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid, (E)-4-((3-(2-((3,4-dimethylphenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)benzoic acid, 4-[(E)-[3-[2-(3,4-dimethylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
| Molecular Formula | C21H18N2O5S |
|---|---|
| Molecular Weight | 410.09 g/mol |
| LogP | 3.67664 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.09363 |
| Heavy Atoms | 29 |
| Complexity | 1043.537 |
Chemical Identifiers
| CAS Number | 431992-15-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CN2C(=O)/C(=C\C3=CC=C(C=C3)C(=O)O)/SC2=O)C |
Product Overview
4-[(E)-(3-{2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid (CAS 431992-15-3), with molecular formula C21H18N2O5S and molecular weight 410.09 g/mol. IUPAC: 4-[(E)-[3-[2-(3,4-dimethylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid.
Chemical Property Profile of 4-[(E)-(3-{2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
Property Insights of 4-[(E)-(3-{2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
The XLogP value of 3.67664 indicates that 4-[(E)-(3-{2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(E)-(3-{2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid. Following Lipinski's Rule of Five, 4-[(E)-(3-{2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid has 2 hydrogen bond donor(s) and 5 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-[(E)-(3-{2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid?
The CAS number of 4-[(E)-(3-{2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid is 431992-15-3.
What is the molecular formula of 4-[(E)-(3-{2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid?
The molecular formula of 4-[(E)-(3-{2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid is C21H18N2O5S.
What is the molecular weight of 4-[(E)-(3-{2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid?
The molecular weight of 4-[(E)-(3-{2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid is 410.09 g/mol.
Where can I buy 4-[(E)-(3-{2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid?
You can request a quote for 4-[(E)-(3-{2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)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 4-[(E)-(3-{2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(E)-(3-{2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.