5-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
TL;DR: 5-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one (CAS 312926-81-1) is a chemical compound with molecular formula C12H10BrNO3S2 and molecular weight 358.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: IDI1_008634, BAS 00330679, 5-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one, (5E)-5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 5-(3-Bromo-5-ethoxy-4-hydroxy-benzylidene)-2-thioxo-thiazolidin-4-one
| Molecular Formula | C12H10BrNO3S2 |
|---|---|
| Molecular Weight | 358.93 g/mol |
| LogP | 3.0422 |
| Topological Polar Surface Area | 58.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.92856 |
| Heavy Atoms | 19 |
| Complexity | 586.5824 |
Chemical Identifiers
| CAS Number | 312926-81-1 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)/C=C/2\C(=O)NC(=S)S2)Br)O |
Product Overview
5-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one (CAS 312926-81-1), with molecular formula C12H10BrNO3S2 and molecular weight 358.93 g/mol. IUPAC: (5E)-5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 5-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Property Insights of 5-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
The XLogP value of 3.0422 indicates that 5-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-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 58.56 Ų, 5-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one has 2 hydrogen bond donor(s) and 5 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-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one?
The CAS number of 5-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one is 312926-81-1.
What is the molecular formula of 5-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one?
The molecular formula of 5-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one is C12H10BrNO3S2.
What is the molecular weight of 5-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one?
The molecular weight of 5-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one is 358.93 g/mol.
Where can I buy 5-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one?
You can request a quote for 5-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-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-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.