![3-{(5E)-5-[4-methoxy-2-methyl-5-(propan-2-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid structure](/static/products/6922/692281-72-4.webp)
3-{(5E)-5-[4-methoxy-2-methyl-5-(propan-2-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid
TL;DR: 3-{(5E)-5-[4-methoxy-2-methyl-5-(propan-2-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid (CAS 692281-72-4) is a chemical compound with molecular formula C18H21NO4S2 and molecular weight 379.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5E)-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: 3-{(5E)-5-[4-methoxy-2-methyl-5-(propan-2-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid, (E)-3-(5-(5-isopropyl-4-methoxy-2-methylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid, 3-[(5E)-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
| Molecular Formula | C18H21NO4S2 |
|---|---|
| Molecular Weight | 379.09 g/mol |
| LogP | 3.80292 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.0912 |
| Heavy Atoms | 25 |
| Complexity | 755.6881 |
Chemical Identifiers
| CAS Number | 692281-72-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1/C=C/2\C(=O)N(C(=S)S2)CCC(=O)O)C(C)C)OC |
Product Overview
3-{(5E)-5-[4-methoxy-2-methyl-5-(propan-2-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid (CAS 692281-72-4), with molecular formula C18H21NO4S2 and molecular weight 379.09 g/mol. IUPAC: 3-[(5E)-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of 3-{(5E)-5-[4-methoxy-2-methyl-5-(propan-2-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid
Property Insights of 3-{(5E)-5-[4-methoxy-2-methyl-5-(propan-2-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid
The XLogP value of 3.80292 indicates that 3-{(5E)-5-[4-methoxy-2-methyl-5-(propan-2-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic 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-[4-methoxy-2-methyl-5-(propan-2-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid. Following Lipinski's Rule of Five, 3-{(5E)-5-[4-methoxy-2-methyl-5-(propan-2-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic 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-[4-methoxy-2-methyl-5-(propan-2-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid?
The CAS number of 3-{(5E)-5-[4-methoxy-2-methyl-5-(propan-2-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid is 692281-72-4.
What is the molecular formula of 3-{(5E)-5-[4-methoxy-2-methyl-5-(propan-2-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid?
The molecular formula of 3-{(5E)-5-[4-methoxy-2-methyl-5-(propan-2-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid is C18H21NO4S2.
What is the molecular weight of 3-{(5E)-5-[4-methoxy-2-methyl-5-(propan-2-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid?
The molecular weight of 3-{(5E)-5-[4-methoxy-2-methyl-5-(propan-2-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid is 379.09 g/mol.
Where can I buy 3-{(5E)-5-[4-methoxy-2-methyl-5-(propan-2-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid?
You can request a quote for 3-{(5E)-5-[4-methoxy-2-methyl-5-(propan-2-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic 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-[4-methoxy-2-methyl-5-(propan-2-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{(5E)-5-[4-methoxy-2-methyl-5-(propan-2-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.