(5E)-5-(3-bromo-4-hydroxy-5-methoxybenzylidene)-3-(3-chloro-4-fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one
TL;DR: (5E)-5-(3-bromo-4-hydroxy-5-methoxybenzylidene)-3-(3-chloro-4-fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one (CAS 690991-28-7) is a chemical compound with molecular formula C17H10BrClFNO3S2 and molecular weight 472.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-(3-chloro-4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (5E)-5-(3-bromo-4-hydroxy-5-methoxybenzylidene)-3-(3-chloro-4-fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one, (5E)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-(3-chloro-4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C17H10BrClFNO3S2 |
|---|---|
| Molecular Weight | 472.90 g/mol |
| LogP | 5.3616 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 472.8958 |
| Heavy Atoms | 26 |
| Complexity | 967.26447 |
Chemical Identifiers
| CAS Number | 690991-28-7 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)C3=CC(=C(C=C3)F)Cl)Br)O |
Product Overview
(5E)-5-(3-bromo-4-hydroxy-5-methoxybenzylidene)-3-(3-chloro-4-fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one (CAS 690991-28-7), with molecular formula C17H10BrClFNO3S2 and molecular weight 472.90 g/mol. IUPAC: (5E)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-(3-chloro-4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (5E)-5-(3-bromo-4-hydroxy-5-methoxybenzylidene)-3-(3-chloro-4-fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one
Property Insights of (5E)-5-(3-bromo-4-hydroxy-5-methoxybenzylidene)-3-(3-chloro-4-fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one
The XLogP value of 5.3616 indicates that (5E)-5-(3-bromo-4-hydroxy-5-methoxybenzylidene)-3-(3-chloro-4-fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.77 Ų, (5E)-5-(3-bromo-4-hydroxy-5-methoxybenzylidene)-3-(3-chloro-4-fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5E)-5-(3-bromo-4-hydroxy-5-methoxybenzylidene)-3-(3-chloro-4-fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (5E)-5-(3-bromo-4-hydroxy-5-methoxybenzylidene)-3-(3-chloro-4-fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one?
The CAS number of (5E)-5-(3-bromo-4-hydroxy-5-methoxybenzylidene)-3-(3-chloro-4-fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one is 690991-28-7.
What is the molecular formula of (5E)-5-(3-bromo-4-hydroxy-5-methoxybenzylidene)-3-(3-chloro-4-fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one?
The molecular formula of (5E)-5-(3-bromo-4-hydroxy-5-methoxybenzylidene)-3-(3-chloro-4-fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one is C17H10BrClFNO3S2.
What is the molecular weight of (5E)-5-(3-bromo-4-hydroxy-5-methoxybenzylidene)-3-(3-chloro-4-fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one?
The molecular weight of (5E)-5-(3-bromo-4-hydroxy-5-methoxybenzylidene)-3-(3-chloro-4-fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one is 472.90 g/mol.
Where can I buy (5E)-5-(3-bromo-4-hydroxy-5-methoxybenzylidene)-3-(3-chloro-4-fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one?
You can request a quote for (5E)-5-(3-bromo-4-hydroxy-5-methoxybenzylidene)-3-(3-chloro-4-fluorophenyl)-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-bromo-4-hydroxy-5-methoxybenzylidene)-3-(3-chloro-4-fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-(3-bromo-4-hydroxy-5-methoxybenzylidene)-3-(3-chloro-4-fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.