![3-[5-(2-methyl-3-phenyl-2-propenylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid structure](/static/products/3420/342046-06-4.webp)
3-[5-(2-methyl-3-phenyl-2-propenylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid
TL;DR: 3-[5-(2-methyl-3-phenyl-2-propenylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid (CAS 342046-06-4) is a chemical compound with molecular formula C20H15NO3S2 and molecular weight 381.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
Also Known As: 3-[5-(2-methyl-3-phenyl-2-propenylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid, AE-641/10659061, 3-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid, 3-((Z)-5-((E)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid, 3-[5-((2E)-2-methyl-3-phenylprop-2-enylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3 -yl]benzoic acid
| Molecular Formula | C20H15NO3S2 |
|---|---|
| Molecular Weight | 381.05 g/mol |
| LogP | 4.7369 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.04935 |
| Heavy Atoms | 26 |
| Complexity | 948.53845 |
Chemical Identifiers
| CAS Number | 342046-06-4 |
|---|---|
| SMILES | C/C(=C\C1=CC=CC=C1)/C=C\2/C(=O)N(C(=S)S2)C3=CC=CC(=C3)C(=O)O |
Product Overview
3-[5-(2-methyl-3-phenyl-2-propenylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid (CAS 342046-06-4), with molecular formula C20H15NO3S2 and molecular weight 381.05 g/mol. IUPAC: 3-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid.
Chemical Property Profile of 3-[5-(2-methyl-3-phenyl-2-propenylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid
Property Insights of 3-[5-(2-methyl-3-phenyl-2-propenylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid
The XLogP value of 4.7369 indicates that 3-[5-(2-methyl-3-phenyl-2-propenylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, 3-[5-(2-methyl-3-phenyl-2-propenylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[5-(2-methyl-3-phenyl-2-propenylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid has 1 hydrogen bond donor(s) and 4 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-[5-(2-methyl-3-phenyl-2-propenylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid?
The CAS number of 3-[5-(2-methyl-3-phenyl-2-propenylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid is 342046-06-4.
What is the molecular formula of 3-[5-(2-methyl-3-phenyl-2-propenylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid?
The molecular formula of 3-[5-(2-methyl-3-phenyl-2-propenylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid is C20H15NO3S2.
What is the molecular weight of 3-[5-(2-methyl-3-phenyl-2-propenylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid?
The molecular weight of 3-[5-(2-methyl-3-phenyl-2-propenylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid is 381.05 g/mol.
Where can I buy 3-[5-(2-methyl-3-phenyl-2-propenylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid?
You can request a quote for 3-[5-(2-methyl-3-phenyl-2-propenylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]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-[5-(2-methyl-3-phenyl-2-propenylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-(2-methyl-3-phenyl-2-propenylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.