4-((E)-((Z)-3-methyl-5-(4-((3-nitrobenzyl)oxy)benzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid
TL;DR: 4-((E)-((Z)-3-methyl-5-(4-((3-nitrobenzyl)oxy)benzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid (CAS 675192-64-0) is a chemical compound with molecular formula C25H19N3O6S and molecular weight 489.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(5Z)-3-methyl-5-[[4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
Also Known As: 4-((E)-((Z)-3-methyl-5-(4-((3-nitrobenzyl)oxy)benzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid, 4-[[(5Z)-3-methyl-5-[[4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid, 4-{[(2E,5Z)-3-methyl-5-{4-[(3-nitrobenzyl)oxy]benzylidene}-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid
| Molecular Formula | C25H19N3O6S |
|---|---|
| Molecular Weight | 489.10 g/mol |
| LogP | 5.1058 |
| Topological Polar Surface Area | 122.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.09946 |
| Heavy Atoms | 35 |
| Complexity | 1350.375 |
Chemical Identifiers
| CAS Number | 675192-64-0 |
|---|---|
| SMILES | CN1C(=O)/C(=C/C2=CC=C(C=C2)OCC3=CC(=CC=C3)[N+](=O)[O-])/SC1=NC4=CC=C(C=C4)C(=O)O |
Product Overview
4-((E)-((Z)-3-methyl-5-(4-((3-nitrobenzyl)oxy)benzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid (CAS 675192-64-0), with molecular formula C25H19N3O6S and molecular weight 489.10 g/mol. IUPAC: 4-[[(5Z)-3-methyl-5-[[4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid.
Chemical Property Profile of 4-((E)-((Z)-3-methyl-5-(4-((3-nitrobenzyl)oxy)benzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid
Property Insights of 4-((E)-((Z)-3-methyl-5-(4-((3-nitrobenzyl)oxy)benzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid
The XLogP value of 5.1058 indicates that 4-((E)-((Z)-3-methyl-5-(4-((3-nitrobenzyl)oxy)benzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((E)-((Z)-3-methyl-5-(4-((3-nitrobenzyl)oxy)benzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid. Following Lipinski's Rule of Five, 4-((E)-((Z)-3-methyl-5-(4-((3-nitrobenzyl)oxy)benzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-((E)-((Z)-3-methyl-5-(4-((3-nitrobenzyl)oxy)benzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid?
The CAS number of 4-((E)-((Z)-3-methyl-5-(4-((3-nitrobenzyl)oxy)benzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid is 675192-64-0.
What is the molecular formula of 4-((E)-((Z)-3-methyl-5-(4-((3-nitrobenzyl)oxy)benzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid?
The molecular formula of 4-((E)-((Z)-3-methyl-5-(4-((3-nitrobenzyl)oxy)benzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid is C25H19N3O6S.
What is the molecular weight of 4-((E)-((Z)-3-methyl-5-(4-((3-nitrobenzyl)oxy)benzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid?
The molecular weight of 4-((E)-((Z)-3-methyl-5-(4-((3-nitrobenzyl)oxy)benzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid is 489.10 g/mol.
Where can I buy 4-((E)-((Z)-3-methyl-5-(4-((3-nitrobenzyl)oxy)benzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid?
You can request a quote for 4-((E)-((Z)-3-methyl-5-(4-((3-nitrobenzyl)oxy)benzylidene)-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 4-((E)-((Z)-3-methyl-5-(4-((3-nitrobenzyl)oxy)benzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((E)-((Z)-3-methyl-5-(4-((3-nitrobenzyl)oxy)benzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.