![6-[5-(4-Nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid structure](/static/products/150/15055-70-6.png)
6-[5-(4-Nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
TL;DR: 6-[5-(4-Nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid (CAS 15055-70-6) is a chemical compound with molecular formula C16H16N2O5S2 and molecular weight 380.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
Also Known As: BAS 00556695, 6-[5-(4-nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid, AB00077091-01, AS-871/40030607, 6-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
| Molecular Formula | C16H16N2O5S2 |
|---|---|
| Molecular Weight | 380.05 g/mol |
| LogP | 3.441 |
| Topological Polar Surface Area | 100.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 380.05005 |
| Heavy Atoms | 25 |
| Complexity | 730.54553 |
Chemical Identifiers
| CAS Number | 15055-70-6 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C\2/C(=O)N(C(=S)S2)CCCCCC(=O)O)[N+](=O)[O-] |
Product Overview
6-[5-(4-Nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid (CAS 15055-70-6), with molecular formula C16H16N2O5S2 and molecular weight 380.05 g/mol. IUPAC: 6-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid.
Chemical Property Profile of 6-[5-(4-Nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
Property Insights of 6-[5-(4-Nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
The XLogP value of 3.441 indicates that 6-[5-(4-Nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic 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 6-[5-(4-Nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid. Following Lipinski's Rule of Five, 6-[5-(4-Nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic 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 6-[5-(4-Nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid?
The CAS number of 6-[5-(4-Nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid is 15055-70-6.
What is the molecular formula of 6-[5-(4-Nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid?
The molecular formula of 6-[5-(4-Nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid is C16H16N2O5S2.
What is the molecular weight of 6-[5-(4-Nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid?
The molecular weight of 6-[5-(4-Nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid is 380.05 g/mol.
Where can I buy 6-[5-(4-Nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid?
You can request a quote for 6-[5-(4-Nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[5-(4-Nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-[5-(4-Nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.