(5E)-5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one
TL;DR: (5E)-5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one (CAS 401580-59-4) is a chemical compound with molecular formula C17H11ClN2O5S2 and molecular weight 421.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (5E)-5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one, (5E)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one, 5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylene]-3-(4-nitrophenyl)-2-thioxo-1 ,3-thiazolidin-4-one
| Molecular Formula | C17H11ClN2O5S2 |
|---|---|
| Molecular Weight | 421.98 g/mol |
| LogP | 4.3682 |
| Topological Polar Surface Area | 92.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.9798 |
| Heavy Atoms | 27 |
| Complexity | 991.5634 |
Chemical Identifiers
| CAS Number | 401580-59-4 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)C3=CC=C(C=C3)[N+](=O)[O-])Cl)O |
Product Overview
(5E)-5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one (CAS 401580-59-4), with molecular formula C17H11ClN2O5S2 and molecular weight 421.98 g/mol. IUPAC: (5E)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (5E)-5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one
Property Insights of (5E)-5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one
The XLogP value of 4.3682 indicates that (5E)-5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-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 92.91 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one. Following Lipinski's Rule of Five, (5E)-5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one has 1 hydrogen bond donor(s) and 7 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 (5E)-5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one?
The CAS number of (5E)-5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one is 401580-59-4.
What is the molecular formula of (5E)-5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one?
The molecular formula of (5E)-5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one is C17H11ClN2O5S2.
What is the molecular weight of (5E)-5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one?
The molecular weight of (5E)-5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one is 421.98 g/mol.
Where can I buy (5E)-5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one?
You can request a quote for (5E)-5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-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 (5E)-5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.