(E)-3-(3-chlorophenyl)-5-(4-hydroxy-3-nitrobenzylidene)-2-thioxothiazolidin-4-one
TL;DR: (E)-3-(3-chlorophenyl)-5-(4-hydroxy-3-nitrobenzylidene)-2-thioxothiazolidin-4-one (CAS 301309-29-5) is a chemical compound with molecular formula C16H9ClN2O4S2 and molecular weight 391.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-3-(3-chlorophenyl)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (E)-3-(3-chlorophenyl)-5-(4-hydroxy-3-nitrobenzylidene)-2-thioxothiazolidin-4-one, 3-(3-CHLOROPHENYL)-5-(4-HO-3-NITROBENZYLIDENE)-2-THIOXO-1,3-THIAZOLIDIN-4-ONE, (5E)-3-(3-chlorophenyl)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 3-(3-chlorophenyl)-5-[(4-hydroxy-3-nitro-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C16H9ClN2O4S2 |
|---|---|
| Molecular Weight | 391.97 g/mol |
| LogP | 4.3596 |
| Topological Polar Surface Area | 83.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.96924 |
| Heavy Atoms | 25 |
| Complexity | 945.482 |
Chemical Identifiers
| CAS Number | 301309-29-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)N2C(=O)/C(=C\C3=CC(=C(C=C3)O)[N+](=O)[O-])/SC2=S |
Product Overview
(E)-3-(3-chlorophenyl)-5-(4-hydroxy-3-nitrobenzylidene)-2-thioxothiazolidin-4-one (CAS 301309-29-5), with molecular formula C16H9ClN2O4S2 and molecular weight 391.97 g/mol. IUPAC: (5E)-3-(3-chlorophenyl)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (E)-3-(3-chlorophenyl)-5-(4-hydroxy-3-nitrobenzylidene)-2-thioxothiazolidin-4-one
Property Insights of (E)-3-(3-chlorophenyl)-5-(4-hydroxy-3-nitrobenzylidene)-2-thioxothiazolidin-4-one
The XLogP value of 4.3596 indicates that (E)-3-(3-chlorophenyl)-5-(4-hydroxy-3-nitrobenzylidene)-2-thioxothiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(3-chlorophenyl)-5-(4-hydroxy-3-nitrobenzylidene)-2-thioxothiazolidin-4-one. Following Lipinski's Rule of Five, (E)-3-(3-chlorophenyl)-5-(4-hydroxy-3-nitrobenzylidene)-2-thioxothiazolidin-4-one 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 (E)-3-(3-chlorophenyl)-5-(4-hydroxy-3-nitrobenzylidene)-2-thioxothiazolidin-4-one?
The CAS number of (E)-3-(3-chlorophenyl)-5-(4-hydroxy-3-nitrobenzylidene)-2-thioxothiazolidin-4-one is 301309-29-5.
What is the molecular formula of (E)-3-(3-chlorophenyl)-5-(4-hydroxy-3-nitrobenzylidene)-2-thioxothiazolidin-4-one?
The molecular formula of (E)-3-(3-chlorophenyl)-5-(4-hydroxy-3-nitrobenzylidene)-2-thioxothiazolidin-4-one is C16H9ClN2O4S2.
What is the molecular weight of (E)-3-(3-chlorophenyl)-5-(4-hydroxy-3-nitrobenzylidene)-2-thioxothiazolidin-4-one?
The molecular weight of (E)-3-(3-chlorophenyl)-5-(4-hydroxy-3-nitrobenzylidene)-2-thioxothiazolidin-4-one is 391.97 g/mol.
Where can I buy (E)-3-(3-chlorophenyl)-5-(4-hydroxy-3-nitrobenzylidene)-2-thioxothiazolidin-4-one?
You can request a quote for (E)-3-(3-chlorophenyl)-5-(4-hydroxy-3-nitrobenzylidene)-2-thioxothiazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(3-chlorophenyl)-5-(4-hydroxy-3-nitrobenzylidene)-2-thioxothiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(3-chlorophenyl)-5-(4-hydroxy-3-nitrobenzylidene)-2-thioxothiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.