3-((E)-((Z)-5-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-3-ethyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid
TL;DR: 3-((E)-((Z)-5-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-3-ethyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid (CAS 690990-92-2) is a chemical compound with molecular formula C21H19BrN2O5S and molecular weight 490.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(5Z)-5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
Also Known As: 3-((E)-((Z)-5-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-3-ethyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid, 3-[[(5Z)-5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid, 3-{[(2E,5Z)-5-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid
| Molecular Formula | C21H19BrN2O5S |
|---|---|
| Molecular Weight | 490.02 g/mol |
| LogP | 4.8755 |
| Topological Polar Surface Area | 99.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 490.0198 |
| Heavy Atoms | 30 |
| Complexity | 1067.3574 |
Chemical Identifiers
| CAS Number | 690990-92-2 |
|---|---|
| SMILES | CCN1C(=O)/C(=C/C2=CC(=C(C(=C2)Br)O)OCC)/SC1=NC3=CC=CC(=C3)C(=O)O |
Product Overview
3-((E)-((Z)-5-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-3-ethyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid (CAS 690990-92-2), with molecular formula C21H19BrN2O5S and molecular weight 490.02 g/mol. IUPAC: 3-[[(5Z)-5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid.
Chemical Property Profile of 3-((E)-((Z)-5-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-3-ethyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid
Property Insights of 3-((E)-((Z)-5-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-3-ethyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid
The XLogP value of 4.8755 indicates that 3-((E)-((Z)-5-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-3-ethyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((E)-((Z)-5-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-3-ethyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid. Following Lipinski's Rule of Five, 3-((E)-((Z)-5-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-3-ethyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid has 2 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 3-((E)-((Z)-5-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-3-ethyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid?
The CAS number of 3-((E)-((Z)-5-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-3-ethyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid is 690990-92-2.
What is the molecular formula of 3-((E)-((Z)-5-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-3-ethyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid?
The molecular formula of 3-((E)-((Z)-5-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-3-ethyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid is C21H19BrN2O5S.
What is the molecular weight of 3-((E)-((Z)-5-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-3-ethyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid?
The molecular weight of 3-((E)-((Z)-5-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-3-ethyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid is 490.02 g/mol.
Where can I buy 3-((E)-((Z)-5-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-3-ethyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid?
You can request a quote for 3-((E)-((Z)-5-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-3-ethyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((E)-((Z)-5-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-3-ethyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((E)-((Z)-5-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-3-ethyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.