![3-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoic acid structure](/static/products/844/844654-53-1.png)
3-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoic acid
TL;DR: 3-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoic acid (CAS 844654-53-1) is a chemical compound with molecular formula C21H27NO5S and molecular weight 405.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5Z)-5-[(4-octoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: 3-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoic acid, (Z)-3-(5-(4-(octyloxy)benzylidene)-2,4-dioxothiazolidin-3-yl)propanoic acid, 3-[(5Z)-5-[(4-octoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoic acid, 3-[5-[(4-octoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoic Acid, 3-{5-[(4-octyloxyphenyl)methylene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoic ac id
| Molecular Formula | C21H27NO5S |
|---|---|
| Molecular Weight | 405.16 g/mol |
| LogP | 4.9369 |
| Topological Polar Surface Area | 83.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 405.16098 |
| Heavy Atoms | 28 |
| Complexity | 714.01105 |
Chemical Identifiers
| CAS Number | 844654-53-1 |
|---|---|
| SMILES | CCCCCCCCOC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCC(=O)O |
Product Overview
3-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoic acid (CAS 844654-53-1), with molecular formula C21H27NO5S and molecular weight 405.16 g/mol. IUPAC: 3-[(5Z)-5-[(4-octoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of 3-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoic acid
Property Insights of 3-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoic acid
The XLogP value of 4.9369 indicates that 3-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoic acid. Following Lipinski's Rule of Five, 3-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-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-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoic acid?
The CAS number of 3-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoic acid is 844654-53-1.
What is the molecular formula of 3-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoic acid?
The molecular formula of 3-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoic acid is C21H27NO5S.
What is the molecular weight of 3-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoic acid?
The molecular weight of 3-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoic acid is 405.16 g/mol.
Where can I buy 3-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoic acid?
You can request a quote for 3-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-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-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.