![4-({[(2E)-2-[(3-chlorophenyl)imino]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl]acetyl}amino)benzoic acid structure](/static/products/7257/725720-17-2.webp)
4-({[(2E)-2-[(3-chlorophenyl)imino]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl]acetyl}amino)benzoic acid
TL;DR: 4-({[(2E)-2-[(3-chlorophenyl)imino]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl]acetyl}amino)benzoic acid (CAS 725720-17-2) is a chemical compound with molecular formula C21H18ClN3O4S and molecular weight 443.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[2-(3-chlorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
Also Known As: 4-({[(2E)-2-[(3-chlorophenyl)imino]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl]acetyl}amino)benzoic acid, 4-[[2-[2-(3-chlorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetyl]amino]benzoic Acid, 4-(2-{2-[(3-Chlorophenyl)imino]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl}acetamido)benzoic acid, 4-[[2-[2-[(3-Chlorophenyl)imino]-4-oxo-3-(2-propen-1-yl)-5-thiazolidinyl]acetyl]amino]benzoic acid
| Molecular Formula | C21H18ClN3O4S |
|---|---|
| Molecular Weight | 443.07 g/mol |
| LogP | 4.1845 |
| Topological Polar Surface Area | 99.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.07065 |
| Heavy Atoms | 30 |
| Complexity | 1023.1665 |
Chemical Identifiers
| CAS Number | 725720-17-2 |
|---|---|
| SMILES | C=CCN1C(=O)C(SC1=NC2=CC(=CC=C2)Cl)CC(=O)NC3=CC=C(C=C3)C(=O)O |
Product Overview
4-({[(2E)-2-[(3-chlorophenyl)imino]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl]acetyl}amino)benzoic acid (CAS 725720-17-2), with molecular formula C21H18ClN3O4S and molecular weight 443.07 g/mol. IUPAC: 4-[[2-[2-(3-chlorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid.
Chemical Property Profile of 4-({[(2E)-2-[(3-chlorophenyl)imino]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl]acetyl}amino)benzoic acid
Property Insights of 4-({[(2E)-2-[(3-chlorophenyl)imino]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl]acetyl}amino)benzoic acid
The XLogP value of 4.1845 indicates that 4-({[(2E)-2-[(3-chlorophenyl)imino]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl]acetyl}amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({[(2E)-2-[(3-chlorophenyl)imino]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl]acetyl}amino)benzoic acid. Following Lipinski's Rule of Five, 4-({[(2E)-2-[(3-chlorophenyl)imino]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl]acetyl}amino)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-({[(2E)-2-[(3-chlorophenyl)imino]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl]acetyl}amino)benzoic acid?
The CAS number of 4-({[(2E)-2-[(3-chlorophenyl)imino]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl]acetyl}amino)benzoic acid is 725720-17-2.
What is the molecular formula of 4-({[(2E)-2-[(3-chlorophenyl)imino]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl]acetyl}amino)benzoic acid?
The molecular formula of 4-({[(2E)-2-[(3-chlorophenyl)imino]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl]acetyl}amino)benzoic acid is C21H18ClN3O4S.
What is the molecular weight of 4-({[(2E)-2-[(3-chlorophenyl)imino]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl]acetyl}amino)benzoic acid?
The molecular weight of 4-({[(2E)-2-[(3-chlorophenyl)imino]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl]acetyl}amino)benzoic acid is 443.07 g/mol.
Where can I buy 4-({[(2E)-2-[(3-chlorophenyl)imino]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl]acetyl}amino)benzoic acid?
You can request a quote for 4-({[(2E)-2-[(3-chlorophenyl)imino]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl]acetyl}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 4-({[(2E)-2-[(3-chlorophenyl)imino]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl]acetyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-({[(2E)-2-[(3-chlorophenyl)imino]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl]acetyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.