(Z)-3-(5-(4-(octyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid
TL;DR: (Z)-3-(5-(4-(octyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid (CAS 488087-61-2) is a chemical compound with molecular formula C21H27NO4S2 and molecular weight 421.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5Z)-5-[(4-octoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: (Z)-3-(5-(4-(octyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid, 3-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid, 3-[(5Z)-5-[(4-octoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid, 3-[5-[(4-octoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic Acid
| Molecular Formula | C21H27NO4S2 |
|---|---|
| Molecular Weight | 421.14 g/mol |
| LogP | 5.1018 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 421.13815 |
| Heavy Atoms | 28 |
| Complexity | 715.62067 |
Chemical Identifiers
| CAS Number | 488087-61-2 |
|---|---|
| SMILES | CCCCCCCCOC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)O |
Product Overview
(Z)-3-(5-(4-(octyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid (CAS 488087-61-2), with molecular formula C21H27NO4S2 and molecular weight 421.14 g/mol. IUPAC: 3-[(5Z)-5-[(4-octoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of (Z)-3-(5-(4-(octyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid
Property Insights of (Z)-3-(5-(4-(octyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid
The XLogP value of 5.1018 indicates that (Z)-3-(5-(4-(octyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-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 (Z)-3-(5-(4-(octyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid. Following Lipinski's Rule of Five, (Z)-3-(5-(4-(octyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic 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 (Z)-3-(5-(4-(octyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid?
The CAS number of (Z)-3-(5-(4-(octyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid is 488087-61-2.
What is the molecular formula of (Z)-3-(5-(4-(octyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid?
The molecular formula of (Z)-3-(5-(4-(octyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid is C21H27NO4S2.
What is the molecular weight of (Z)-3-(5-(4-(octyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid?
The molecular weight of (Z)-3-(5-(4-(octyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid is 421.14 g/mol.
Where can I buy (Z)-3-(5-(4-(octyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid?
You can request a quote for (Z)-3-(5-(4-(octyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-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 (Z)-3-(5-(4-(octyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-(5-(4-(octyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.