3-((5-((4-Carboxyphenyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid
TL;DR: 3-((5-((4-Carboxyphenyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid (CAS 1008682-56-1) is a chemical compound with molecular formula C18H14N2O6S and molecular weight 386.05725 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[5-(4-carboxyanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid
Also Known As: 3-((5-((4-carboxyphenyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid, AT-057/42874294, 3-[[5-(4-carboxyanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid, 3-({5-[(4-carboxyphenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid, F1955-0057
Technical Specifications
| Molecular Formula | C18H14N2O6S |
| Molecular Weight | 386.05725 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 149.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.05725 Da |
| Heavy Atoms | 27 |
| Complexity | 619.0 |
| SMILES | C1=CC(=CC(=C1)C(=O)O)CN2C(=O)C(SC2=O)NC3=CC=C(C=C3)C(=O)O |
| InChIKey | POFBFHZQPHKWJP-UHFFFAOYSA-N |
Chemical Property Profile of 3-((5-((4-Carboxyphenyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid
Property Insights of 3-((5-((4-Carboxyphenyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((5-((4-Carboxyphenyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid. The TPSA of 149.0 Ų indicates high polarity, suggesting 3-((5-((4-Carboxyphenyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-((5-((4-Carboxyphenyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-((5-((4-Carboxyphenyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid?
The CAS number of 3-((5-((4-Carboxyphenyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid is 1008682-56-1.
What is the molecular formula of 3-((5-((4-Carboxyphenyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid?
The molecular formula of 3-((5-((4-Carboxyphenyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid is C18H14N2O6S.
What is the molecular weight of 3-((5-((4-Carboxyphenyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid?
The molecular weight of 3-((5-((4-Carboxyphenyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid is 386.05725 g/mol.
Where can I buy 3-((5-((4-Carboxyphenyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid?
You can request a quote for 3-((5-((4-Carboxyphenyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-((5-((4-Carboxyphenyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 3-((5-((4-Carboxyphenyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.