![3-{[3-(4-Carboxybenzyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoic acid structure](/static/products/1008/1008463-15-7.webp)
3-{[3-(4-Carboxybenzyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoic acid
TL;DR: 3-{[3-(4-Carboxybenzyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoic acid (CAS 1008463-15-7) is a chemical compound with molecular formula C18H14N2O6S and molecular weight 386.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-[(4-carboxyphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-yl]amino]benzoic acid
Also Known As: 3-{[3-(4-carboxybenzyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoic acid, AT-057/43208216, 3-[[3-[(4-carboxyphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-yl]amino]benzoic acid, 3-((3-(4-carboxybenzyl)-2,4-dioxothiazolidin-5-yl)amino)benzoic acid, 3-({3-[(4-carboxyphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-yl}amino)benzoic a cid
| Molecular Formula | C18H14N2O6S |
|---|---|
| Molecular Weight | 386.06 g/mol |
| LogP | 2.7166 |
| Topological Polar Surface Area | 124.01 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.05725 |
| Heavy Atoms | 27 |
| Complexity | 927.70404 |
Chemical Identifiers
| CAS Number | 1008463-15-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC2C(=O)N(C(=O)S2)CC3=CC=C(C=C3)C(=O)O)C(=O)O |
Product Overview
3-{[3-(4-Carboxybenzyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoic acid (CAS 1008463-15-7), with molecular formula C18H14N2O6S and molecular weight 386.06 g/mol. IUPAC: 3-[[3-[(4-carboxyphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-yl]amino]benzoic acid.
Chemical Property Profile of 3-{[3-(4-Carboxybenzyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoic acid
Property Insights of 3-{[3-(4-Carboxybenzyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoic acid
The XLogP value of 2.7166 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[3-(4-Carboxybenzyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoic acid. The TPSA of 124.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[3-(4-Carboxybenzyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoic acid. Following Lipinski's Rule of Five, 3-{[3-(4-Carboxybenzyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoic acid has 3 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-{[3-(4-Carboxybenzyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoic acid?
The CAS number of 3-{[3-(4-Carboxybenzyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoic acid is 1008463-15-7.
What is the molecular formula of 3-{[3-(4-Carboxybenzyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoic acid?
The molecular formula of 3-{[3-(4-Carboxybenzyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoic acid is C18H14N2O6S.
What is the molecular weight of 3-{[3-(4-Carboxybenzyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoic acid?
The molecular weight of 3-{[3-(4-Carboxybenzyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoic acid is 386.06 g/mol.
Where can I buy 3-{[3-(4-Carboxybenzyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoic acid?
You can request a quote for 3-{[3-(4-Carboxybenzyl)-2,4-dioxo-1,3-thiazolidin-5-yl]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 3-{[3-(4-Carboxybenzyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[3-(4-Carboxybenzyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.