![3-{(5Z)-5-[4-(hexyloxy)-3-methoxybenzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid structure](/static/products/3029/302949-56-0.webp)
3-{(5Z)-5-[4-(hexyloxy)-3-methoxybenzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid
TL;DR: 3-{(5Z)-5-[4-(hexyloxy)-3-methoxybenzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid (CAS 302949-56-0) is a chemical compound with molecular formula C20H25NO5S2 and molecular weight 423.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5Z)-5-[(4-hexoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: 3-{(5Z)-5-[4-(hexyloxy)-3-methoxybenzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid, (Z)-3-(5-(4-(hexyloxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid, 3-[(5Z)-5-[(4-hexoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid, 3-[(5Z)-5-{[4-(HEXYLOXY)-3-METHOXYPHENYL]METHYLIDENE}-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]PROPANOIC ACID, 3-{5-[(4-hexyloxy-3-methoxyphenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3- yl}propanoic acid
| Molecular Formula | C20H25NO5S2 |
|---|---|
| Molecular Weight | 423.12 g/mol |
| LogP | 4.3302 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 423.1174 |
| Heavy Atoms | 28 |
| Complexity | 762.963 |
Chemical Identifiers
| CAS Number | 302949-56-0 |
|---|---|
| SMILES | CCCCCCOC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)O)OC |
Product Overview
3-{(5Z)-5-[4-(hexyloxy)-3-methoxybenzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid (CAS 302949-56-0), with molecular formula C20H25NO5S2 and molecular weight 423.12 g/mol. IUPAC: 3-[(5Z)-5-[(4-hexoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of 3-{(5Z)-5-[4-(hexyloxy)-3-methoxybenzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid
Property Insights of 3-{(5Z)-5-[4-(hexyloxy)-3-methoxybenzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid
The XLogP value of 4.3302 indicates that 3-{(5Z)-5-[4-(hexyloxy)-3-methoxybenzylidene]-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 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{(5Z)-5-[4-(hexyloxy)-3-methoxybenzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid. Following Lipinski's Rule of Five, 3-{(5Z)-5-[4-(hexyloxy)-3-methoxybenzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid has 1 hydrogen bond donor(s) and 6 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-{(5Z)-5-[4-(hexyloxy)-3-methoxybenzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid?
The CAS number of 3-{(5Z)-5-[4-(hexyloxy)-3-methoxybenzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid is 302949-56-0.
What is the molecular formula of 3-{(5Z)-5-[4-(hexyloxy)-3-methoxybenzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid?
The molecular formula of 3-{(5Z)-5-[4-(hexyloxy)-3-methoxybenzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid is C20H25NO5S2.
What is the molecular weight of 3-{(5Z)-5-[4-(hexyloxy)-3-methoxybenzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid?
The molecular weight of 3-{(5Z)-5-[4-(hexyloxy)-3-methoxybenzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid is 423.12 g/mol.
Where can I buy 3-{(5Z)-5-[4-(hexyloxy)-3-methoxybenzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid?
You can request a quote for 3-{(5Z)-5-[4-(hexyloxy)-3-methoxybenzylidene]-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-{(5Z)-5-[4-(hexyloxy)-3-methoxybenzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{(5Z)-5-[4-(hexyloxy)-3-methoxybenzylidene]-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.