5-(4-hydroxy-3,5-dimethoxybenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one
TL;DR: 5-(4-hydroxy-3,5-dimethoxybenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one (CAS 6529-70-0) is a chemical compound with molecular formula C18H14N2O6S2 and molecular weight 418.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 5-(4-hydroxy-3,5-dimethoxybenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one, (5E)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one, (5E)-5-(4-hydroxy-3,5-dimethoxybenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C18H14N2O6S2 |
|---|---|
| Molecular Weight | 418.03 g/mol |
| LogP | 3.7234 |
| Topological Polar Surface Area | 102.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.02933 |
| Heavy Atoms | 28 |
| Complexity | 978.63055 |
Chemical Identifiers
| CAS Number | 6529-70-0 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)/C=C/2\C(=O)N(C(=S)S2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
5-(4-hydroxy-3,5-dimethoxybenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one (CAS 6529-70-0), with molecular formula C18H14N2O6S2 and molecular weight 418.03 g/mol. IUPAC: (5E)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 5-(4-hydroxy-3,5-dimethoxybenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one
Property Insights of 5-(4-hydroxy-3,5-dimethoxybenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one
The XLogP value of 3.7234 indicates that 5-(4-hydroxy-3,5-dimethoxybenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-hydroxy-3,5-dimethoxybenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one. Following Lipinski's Rule of Five, 5-(4-hydroxy-3,5-dimethoxybenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one has 1 hydrogen bond donor(s) and 8 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 5-(4-hydroxy-3,5-dimethoxybenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one?
The CAS number of 5-(4-hydroxy-3,5-dimethoxybenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one is 6529-70-0.
What is the molecular formula of 5-(4-hydroxy-3,5-dimethoxybenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one?
The molecular formula of 5-(4-hydroxy-3,5-dimethoxybenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one is C18H14N2O6S2.
What is the molecular weight of 5-(4-hydroxy-3,5-dimethoxybenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one?
The molecular weight of 5-(4-hydroxy-3,5-dimethoxybenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one is 418.03 g/mol.
Where can I buy 5-(4-hydroxy-3,5-dimethoxybenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one?
You can request a quote for 5-(4-hydroxy-3,5-dimethoxybenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-hydroxy-3,5-dimethoxybenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-hydroxy-3,5-dimethoxybenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.