11-(5-{3-Nitrobenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)undecanoic acid
TL;DR: 11-(5-{3-Nitrobenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)undecanoic acid (CAS 300558-03-6) is a chemical compound with molecular formula C21H26N2O5S2 and molecular weight 450.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[(5Z)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid
Also Known As: AF-399/12153009, 11-(5-{3-nitrobenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)undecanoic acid, 11-[(5Z)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid, 11-[(5Z)-5-(3-nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]undecanoic acid
| Molecular Formula | C21H26N2O5S2 |
|---|---|
| Molecular Weight | 450.13 g/mol |
| LogP | 5.3915 |
| Topological Polar Surface Area | 100.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 450.12833 |
| Heavy Atoms | 30 |
| Complexity | 825.3697 |
Chemical Identifiers
| CAS Number | 300558-03-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])/C=C\2/C(=O)N(C(=S)S2)CCCCCCCCCCC(=O)O |
Product Overview
11-(5-{3-Nitrobenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)undecanoic acid (CAS 300558-03-6), with molecular formula C21H26N2O5S2 and molecular weight 450.13 g/mol. IUPAC: 11-[(5Z)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid.
Chemical Property Profile of 11-(5-{3-Nitrobenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)undecanoic acid
Property Insights of 11-(5-{3-Nitrobenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)undecanoic acid
The XLogP value of 5.3915 indicates that 11-(5-{3-Nitrobenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)undecanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-(5-{3-Nitrobenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)undecanoic acid. Following Lipinski's Rule of Five, 11-(5-{3-Nitrobenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)undecanoic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11-(5-{3-Nitrobenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)undecanoic acid?
The CAS number of 11-(5-{3-Nitrobenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)undecanoic acid is 300558-03-6.
What is the molecular formula of 11-(5-{3-Nitrobenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)undecanoic acid?
The molecular formula of 11-(5-{3-Nitrobenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)undecanoic acid is C21H26N2O5S2.
What is the molecular weight of 11-(5-{3-Nitrobenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)undecanoic acid?
The molecular weight of 11-(5-{3-Nitrobenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)undecanoic acid is 450.13 g/mol.
Where can I buy 11-(5-{3-Nitrobenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)undecanoic acid?
You can request a quote for 11-(5-{3-Nitrobenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)undecanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-(5-{3-Nitrobenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)undecanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 11-(5-{3-Nitrobenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)undecanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.