![3-[(5E)-5-(3-methoxy-4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid structure](/static/products/5917/591763-80-3.webp)
3-[(5E)-5-(3-methoxy-4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid
TL;DR: 3-[(5E)-5-(3-methoxy-4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid (CAS 591763-80-3) is a chemical compound with molecular formula C19H15NO4S2 and molecular weight 385.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5E)-5-[(3-methoxy-4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
Also Known As: 3-[(5E)-5-(3-methoxy-4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid, (E)-3-(5-(3-methoxy-4-methylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid, 3-[(5E)-5-[(3-methoxy-4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
| Molecular Formula | C19H15NO4S2 |
|---|---|
| Molecular Weight | 385.04 g/mol |
| LogP | 4.10762 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.04425 |
| Heavy Atoms | 26 |
| Complexity | 952.30536 |
Chemical Identifiers
| CAS Number | 591763-80-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)C3=CC=CC(=C3)C(=O)O)OC |
Product Overview
3-[(5E)-5-(3-methoxy-4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid (CAS 591763-80-3), with molecular formula C19H15NO4S2 and molecular weight 385.04 g/mol. IUPAC: 3-[(5E)-5-[(3-methoxy-4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid.
Chemical Property Profile of 3-[(5E)-5-(3-methoxy-4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid
Property Insights of 3-[(5E)-5-(3-methoxy-4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid
The XLogP value of 4.10762 indicates that 3-[(5E)-5-(3-methoxy-4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(5E)-5-(3-methoxy-4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid. Following Lipinski's Rule of Five, 3-[(5E)-5-(3-methoxy-4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid has 1 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-[(5E)-5-(3-methoxy-4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid?
The CAS number of 3-[(5E)-5-(3-methoxy-4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid is 591763-80-3.
What is the molecular formula of 3-[(5E)-5-(3-methoxy-4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid?
The molecular formula of 3-[(5E)-5-(3-methoxy-4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid is C19H15NO4S2.
What is the molecular weight of 3-[(5E)-5-(3-methoxy-4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid?
The molecular weight of 3-[(5E)-5-(3-methoxy-4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid is 385.04 g/mol.
Where can I buy 3-[(5E)-5-(3-methoxy-4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid?
You can request a quote for 3-[(5E)-5-(3-methoxy-4-methylbenzylidene)-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-[(5E)-5-(3-methoxy-4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(5E)-5-(3-methoxy-4-methylbenzylidene)-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.