![4-[[4-[5-[3-[4-[(4-Carboxy-3-hydroxyphenyl)amino]-4-oxobutyl]-4-oxo-2-thioxo-5-thiazolidinylidene]-4-oxo-2-thioxo-3-thiazolidinyl]-1-oxobutyl]amino]-2-hydroxybenzoic acid structure](/static/products/4766/476660-72-7.webp)
4-[[4-[5-[3-[4-[(4-Carboxy-3-hydroxyphenyl)amino]-4-oxobutyl]-4-oxo-2-thioxo-5-thiazolidinylidene]-4-oxo-2-thioxo-3-thiazolidinyl]-1-oxobutyl]amino]-2-hydroxybenzoic acid
TL;DR: 4-[[4-[5-[3-[4-[(4-Carboxy-3-hydroxyphenyl)amino]-4-oxobutyl]-4-oxo-2-thioxo-5-thiazolidinylidene]-4-oxo-2-thioxo-3-thiazolidinyl]-1-oxobutyl]amino]-2-hydroxybenzoic acid (CAS 476660-72-7) is a chemical compound with molecular formula C28H24N4O10S4 and molecular weight 704.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[5-[3-[4-(4-carboxy-3-hydroxyanilino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]-2-hydroxybenzoic acid
Also Known As: 4-[[4-[5-[3-[4-[(4-Carboxy-3-hydroxyphenyl)amino]-4-oxobutyl]-4-oxo-2-thioxo-5-thiazolidinylidene]-4-oxo-2-thioxo-3-thiazolidinyl]-1-oxobutyl]amino]-2-hydroxybenzoic acid, 4-[4-[5-[3-[4-(4-carboxy-3-hydroxyanilino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]-2-hydroxybenzoic acid
| Molecular Formula | C28H24N4O10S4 |
|---|---|
| Molecular Weight | 704.04 g/mol |
| LogP | 3.564 |
| Topological Polar Surface Area | 213.88 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 704.03754 |
| Heavy Atoms | 46 |
| Complexity | 1604.0494 |
Chemical Identifiers
| CAS Number | 476660-72-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(=O)CCCN2C(=O)C(=C3C(=O)N(C(=S)S3)CCCC(=O)NC4=CC(=C(C=C4)C(=O)O)O)SC2=S)O)C(=O)O |
Product Overview
4-[[4-[5-[3-[4-[(4-Carboxy-3-hydroxyphenyl)amino]-4-oxobutyl]-4-oxo-2-thioxo-5-thiazolidinylidene]-4-oxo-2-thioxo-3-thiazolidinyl]-1-oxobutyl]amino]-2-hydroxybenzoic acid (CAS 476660-72-7), with molecular formula C28H24N4O10S4 and molecular weight 704.04 g/mol. IUPAC: 4-[4-[5-[3-[4-(4-carboxy-3-hydroxyanilino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]-2-hydroxybenzoic acid.
Chemical Property Profile of 4-[[4-[5-[3-[4-[(4-Carboxy-3-hydroxyphenyl)amino]-4-oxobutyl]-4-oxo-2-thioxo-5-thiazolidinylidene]-4-oxo-2-thioxo-3-thiazolidinyl]-1-oxobutyl]amino]-2-hydroxybenzoic acid
Property Insights of 4-[[4-[5-[3-[4-[(4-Carboxy-3-hydroxyphenyl)amino]-4-oxobutyl]-4-oxo-2-thioxo-5-thiazolidinylidene]-4-oxo-2-thioxo-3-thiazolidinyl]-1-oxobutyl]amino]-2-hydroxybenzoic acid
The XLogP value of 3.564 indicates that 4-[[4-[5-[3-[4-[(4-Carboxy-3-hydroxyphenyl)amino]-4-oxobutyl]-4-oxo-2-thioxo-5-thiazolidinylidene]-4-oxo-2-thioxo-3-thiazolidinyl]-1-oxobutyl]amino]-2-hydroxybenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 213.88 Ų indicates high polarity, suggesting 4-[[4-[5-[3-[4-[(4-Carboxy-3-hydroxyphenyl)amino]-4-oxobutyl]-4-oxo-2-thioxo-5-thiazolidinylidene]-4-oxo-2-thioxo-3-thiazolidinyl]-1-oxobutyl]amino]-2-hydroxybenzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[[4-[5-[3-[4-[(4-Carboxy-3-hydroxyphenyl)amino]-4-oxobutyl]-4-oxo-2-thioxo-5-thiazolidinylidene]-4-oxo-2-thioxo-3-thiazolidinyl]-1-oxobutyl]amino]-2-hydroxybenzoic acid has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[[4-[5-[3-[4-[(4-Carboxy-3-hydroxyphenyl)amino]-4-oxobutyl]-4-oxo-2-thioxo-5-thiazolidinylidene]-4-oxo-2-thioxo-3-thiazolidinyl]-1-oxobutyl]amino]-2-hydroxybenzoic acid?
The CAS number of 4-[[4-[5-[3-[4-[(4-Carboxy-3-hydroxyphenyl)amino]-4-oxobutyl]-4-oxo-2-thioxo-5-thiazolidinylidene]-4-oxo-2-thioxo-3-thiazolidinyl]-1-oxobutyl]amino]-2-hydroxybenzoic acid is 476660-72-7.
What is the molecular formula of 4-[[4-[5-[3-[4-[(4-Carboxy-3-hydroxyphenyl)amino]-4-oxobutyl]-4-oxo-2-thioxo-5-thiazolidinylidene]-4-oxo-2-thioxo-3-thiazolidinyl]-1-oxobutyl]amino]-2-hydroxybenzoic acid?
The molecular formula of 4-[[4-[5-[3-[4-[(4-Carboxy-3-hydroxyphenyl)amino]-4-oxobutyl]-4-oxo-2-thioxo-5-thiazolidinylidene]-4-oxo-2-thioxo-3-thiazolidinyl]-1-oxobutyl]amino]-2-hydroxybenzoic acid is C28H24N4O10S4.
What is the molecular weight of 4-[[4-[5-[3-[4-[(4-Carboxy-3-hydroxyphenyl)amino]-4-oxobutyl]-4-oxo-2-thioxo-5-thiazolidinylidene]-4-oxo-2-thioxo-3-thiazolidinyl]-1-oxobutyl]amino]-2-hydroxybenzoic acid?
The molecular weight of 4-[[4-[5-[3-[4-[(4-Carboxy-3-hydroxyphenyl)amino]-4-oxobutyl]-4-oxo-2-thioxo-5-thiazolidinylidene]-4-oxo-2-thioxo-3-thiazolidinyl]-1-oxobutyl]amino]-2-hydroxybenzoic acid is 704.04 g/mol.
Where can I buy 4-[[4-[5-[3-[4-[(4-Carboxy-3-hydroxyphenyl)amino]-4-oxobutyl]-4-oxo-2-thioxo-5-thiazolidinylidene]-4-oxo-2-thioxo-3-thiazolidinyl]-1-oxobutyl]amino]-2-hydroxybenzoic acid?
You can request a quote for 4-[[4-[5-[3-[4-[(4-Carboxy-3-hydroxyphenyl)amino]-4-oxobutyl]-4-oxo-2-thioxo-5-thiazolidinylidene]-4-oxo-2-thioxo-3-thiazolidinyl]-1-oxobutyl]amino]-2-hydroxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[4-[5-[3-[4-[(4-Carboxy-3-hydroxyphenyl)amino]-4-oxobutyl]-4-oxo-2-thioxo-5-thiazolidinylidene]-4-oxo-2-thioxo-3-thiazolidinyl]-1-oxobutyl]amino]-2-hydroxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[4-[5-[3-[4-[(4-Carboxy-3-hydroxyphenyl)amino]-4-oxobutyl]-4-oxo-2-thioxo-5-thiazolidinylidene]-4-oxo-2-thioxo-3-thiazolidinyl]-1-oxobutyl]amino]-2-hydroxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.