![3-[(3-{5-[(1E,2E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-thioxo-1,3-thiazol-3-yl}propanoyl)amino]benzoic acid structure](/static/products/3075/307546-17-4.webp)
3-[(3-{5-[(1E,2E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-thioxo-1,3-thiazol-3-yl}propanoyl)amino]benzoic acid
TL;DR: 3-[(3-{5-[(1E,2E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-thioxo-1,3-thiazol-3-yl}propanoyl)amino]benzoic acid (CAS 307546-17-4) is a chemical compound with molecular formula C23H20N2O4S2 and molecular weight 452.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[(5E)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid
Also Known As: 3-[(3-{5-[(1E,2E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-thioxo-1,3-thiazol-3-yl}propanoyl)amino]benzoic acid, 3-[(3-{(5E)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoyl)amino]benzoic acid, 3-[3-[(5E)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid
| Molecular Formula | C23H20N2O4S2 |
|---|---|
| Molecular Weight | 452.09 g/mol |
| LogP | 4.5611 |
| Topological Polar Surface Area | 86.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 452.08646 |
| Heavy Atoms | 31 |
| Complexity | 1093.7651 |
Chemical Identifiers
| CAS Number | 307546-17-4 |
|---|---|
| SMILES | C/C(=C\C1=CC=CC=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)NC3=CC=CC(=C3)C(=O)O |
Product Overview
3-[(3-{5-[(1E,2E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-thioxo-1,3-thiazol-3-yl}propanoyl)amino]benzoic acid (CAS 307546-17-4), with molecular formula C23H20N2O4S2 and molecular weight 452.09 g/mol. IUPAC: 3-[3-[(5E)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid.
Chemical Property Profile of 3-[(3-{5-[(1E,2E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-thioxo-1,3-thiazol-3-yl}propanoyl)amino]benzoic acid
Property Insights of 3-[(3-{5-[(1E,2E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-thioxo-1,3-thiazol-3-yl}propanoyl)amino]benzoic acid
The XLogP value of 4.5611 indicates that 3-[(3-{5-[(1E,2E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-thioxo-1,3-thiazol-3-yl}propanoyl)amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(3-{5-[(1E,2E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-thioxo-1,3-thiazol-3-yl}propanoyl)amino]benzoic acid. Following Lipinski's Rule of Five, 3-[(3-{5-[(1E,2E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-thioxo-1,3-thiazol-3-yl}propanoyl)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 3-[(3-{5-[(1E,2E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-thioxo-1,3-thiazol-3-yl}propanoyl)amino]benzoic acid?
The CAS number of 3-[(3-{5-[(1E,2E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-thioxo-1,3-thiazol-3-yl}propanoyl)amino]benzoic acid is 307546-17-4.
What is the molecular formula of 3-[(3-{5-[(1E,2E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-thioxo-1,3-thiazol-3-yl}propanoyl)amino]benzoic acid?
The molecular formula of 3-[(3-{5-[(1E,2E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-thioxo-1,3-thiazol-3-yl}propanoyl)amino]benzoic acid is C23H20N2O4S2.
What is the molecular weight of 3-[(3-{5-[(1E,2E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-thioxo-1,3-thiazol-3-yl}propanoyl)amino]benzoic acid?
The molecular weight of 3-[(3-{5-[(1E,2E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-thioxo-1,3-thiazol-3-yl}propanoyl)amino]benzoic acid is 452.09 g/mol.
Where can I buy 3-[(3-{5-[(1E,2E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-thioxo-1,3-thiazol-3-yl}propanoyl)amino]benzoic acid?
You can request a quote for 3-[(3-{5-[(1E,2E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-thioxo-1,3-thiazol-3-yl}propanoyl)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-{5-[(1E,2E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-thioxo-1,3-thiazol-3-yl}propanoyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-{5-[(1E,2E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-thioxo-1,3-thiazol-3-yl}propanoyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.