![4-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}butanoic acid structure](/static/products/845/845800-98-8.png)
4-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}butanoic acid
TL;DR: 4-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}butanoic acid (CAS 845800-98-8) is a chemical compound with molecular formula C22H29NO5S and molecular weight 419.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5Z)-5-[(4-octoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: 4-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}butanoic acid, (Z)-4-(5-(4-(octyloxy)benzylidene)-2,4-dioxothiazolidin-3-yl)butanoic acid, 4-[(5Z)-5-[(4-octoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]butanoic acid, 4-[5-[(4-octoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]butanoic Acid, 4-{5-[(4-octyloxyphenyl)methylene]-2,4-dioxo-1,3-thiazolidin-3-yl}butanoic aci d
| Molecular Formula | C22H29NO5S |
|---|---|
| Molecular Weight | 419.18 g/mol |
| LogP | 5.327 |
| Topological Polar Surface Area | 83.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 419.17664 |
| Heavy Atoms | 29 |
| Complexity | 729.2231 |
Chemical Identifiers
| CAS Number | 845800-98-8 |
|---|---|
| SMILES | CCCCCCCCOC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCCC(=O)O |
Product Overview
4-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}butanoic acid (CAS 845800-98-8), with molecular formula C22H29NO5S and molecular weight 419.18 g/mol. IUPAC: 4-[(5Z)-5-[(4-octoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]butanoic acid.
Chemical Property Profile of 4-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}butanoic acid
Property Insights of 4-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}butanoic acid
The XLogP value of 5.327 indicates that 4-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}butanoic 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 4-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}butanoic acid. Following Lipinski's Rule of Five, 4-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}butanoic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}butanoic acid?
The CAS number of 4-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}butanoic acid is 845800-98-8.
What is the molecular formula of 4-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}butanoic acid?
The molecular formula of 4-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}butanoic acid is C22H29NO5S.
What is the molecular weight of 4-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}butanoic acid?
The molecular weight of 4-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}butanoic acid is 419.18 g/mol.
Where can I buy 4-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}butanoic acid?
You can request a quote for 4-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.