2-((3-(4-Carboxybenzyl)-2,4-dioxothiazolidin-5-yl)amino)benzoic acid
TL;DR: 2-((3-(4-Carboxybenzyl)-2,4-dioxothiazolidin-5-yl)amino)benzoic acid (CAS 1008584-86-8) 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.
2-[[3-[(4-carboxyphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-yl]amino]benzoic acid
Also Known As: 2-((3-(4-carboxybenzyl)-2,4-dioxothiazolidin-5-yl)amino)benzoic acid, F1955-0007, 2-({3-[(4-carboxyphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-yl}amino)benzoic acid, 2-[[3-[(4-carboxyphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-yl]amino]benzoic acid, 2-{[3-(4-carboxybenzyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoic acid
Technical Specifications
| Molecular Formula | C18H14N2O6S |
| Molecular Weight | 386.05725 g/mol |
| XLogP | 3.2 |
| 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=C(C(=C1)C(=O)O)NC2C(=O)N(C(=O)S2)CC3=CC=C(C=C3)C(=O)O |
| InChIKey | LNQKDBPDTQLLRV-UHFFFAOYSA-N |
Chemical Property Profile of 2-((3-(4-Carboxybenzyl)-2,4-dioxothiazolidin-5-yl)amino)benzoic acid
Property Insights of 2-((3-(4-Carboxybenzyl)-2,4-dioxothiazolidin-5-yl)amino)benzoic acid
The XLogP value of 3.2 indicates that 2-((3-(4-Carboxybenzyl)-2,4-dioxothiazolidin-5-yl)amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.0 Ų indicates high polarity, suggesting 2-((3-(4-Carboxybenzyl)-2,4-dioxothiazolidin-5-yl)amino)benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((3-(4-Carboxybenzyl)-2,4-dioxothiazolidin-5-yl)amino)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 2-((3-(4-Carboxybenzyl)-2,4-dioxothiazolidin-5-yl)amino)benzoic acid?
The CAS number of 2-((3-(4-Carboxybenzyl)-2,4-dioxothiazolidin-5-yl)amino)benzoic acid is 1008584-86-8.
What is the molecular formula of 2-((3-(4-Carboxybenzyl)-2,4-dioxothiazolidin-5-yl)amino)benzoic acid?
The molecular formula of 2-((3-(4-Carboxybenzyl)-2,4-dioxothiazolidin-5-yl)amino)benzoic acid is C18H14N2O6S.
What is the molecular weight of 2-((3-(4-Carboxybenzyl)-2,4-dioxothiazolidin-5-yl)amino)benzoic acid?
The molecular weight of 2-((3-(4-Carboxybenzyl)-2,4-dioxothiazolidin-5-yl)amino)benzoic acid is 386.05725 g/mol.
Where can I buy 2-((3-(4-Carboxybenzyl)-2,4-dioxothiazolidin-5-yl)amino)benzoic acid?
You can request a quote for 2-((3-(4-Carboxybenzyl)-2,4-dioxothiazolidin-5-yl)amino)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((3-(4-Carboxybenzyl)-2,4-dioxothiazolidin-5-yl)amino)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-((3-(4-Carboxybenzyl)-2,4-dioxothiazolidin-5-yl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.