![3-{[(2Z,5E)-5-(4-chloro-3-nitrobenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid structure](/static/products/5917/591763-90-5.webp)
3-{[(2Z,5E)-5-(4-chloro-3-nitrobenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid
TL;DR: 3-{[(2Z,5E)-5-(4-chloro-3-nitrobenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid (CAS 591763-90-5) is a chemical compound with molecular formula C18H12ClN3O5S and molecular weight 417.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
Also Known As: 3-{[(2Z,5E)-5-(4-chloro-3-nitrobenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid, 3-((Z)-((E)-5-(4-chloro-3-nitrobenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid, 3-[[(5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
| Molecular Formula | C18H12ClN3O5S |
|---|---|
| Molecular Weight | 417.02 g/mol |
| LogP | 4.1802 |
| Topological Polar Surface Area | 113.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.01862 |
| Heavy Atoms | 28 |
| Complexity | 1066.9366 |
Chemical Identifiers
| CAS Number | 591763-90-5 |
|---|---|
| SMILES | CN1C(=O)/C(=C\C2=CC(=C(C=C2)Cl)[N+](=O)[O-])/SC1=NC3=CC=CC(=C3)C(=O)O |
Product Overview
3-{[(2Z,5E)-5-(4-chloro-3-nitrobenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid (CAS 591763-90-5), with molecular formula C18H12ClN3O5S and molecular weight 417.02 g/mol. IUPAC: 3-[[(5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid.
Chemical Property Profile of 3-{[(2Z,5E)-5-(4-chloro-3-nitrobenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid
Property Insights of 3-{[(2Z,5E)-5-(4-chloro-3-nitrobenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid
The XLogP value of 4.1802 indicates that 3-{[(2Z,5E)-5-(4-chloro-3-nitrobenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(2Z,5E)-5-(4-chloro-3-nitrobenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid. Following Lipinski's Rule of Five, 3-{[(2Z,5E)-5-(4-chloro-3-nitrobenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid has 1 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-{[(2Z,5E)-5-(4-chloro-3-nitrobenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid?
The CAS number of 3-{[(2Z,5E)-5-(4-chloro-3-nitrobenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid is 591763-90-5.
What is the molecular formula of 3-{[(2Z,5E)-5-(4-chloro-3-nitrobenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid?
The molecular formula of 3-{[(2Z,5E)-5-(4-chloro-3-nitrobenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid is C18H12ClN3O5S.
What is the molecular weight of 3-{[(2Z,5E)-5-(4-chloro-3-nitrobenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid?
The molecular weight of 3-{[(2Z,5E)-5-(4-chloro-3-nitrobenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid is 417.02 g/mol.
Where can I buy 3-{[(2Z,5E)-5-(4-chloro-3-nitrobenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid?
You can request a quote for 3-{[(2Z,5E)-5-(4-chloro-3-nitrobenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-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-{[(2Z,5E)-5-(4-chloro-3-nitrobenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(2Z,5E)-5-(4-chloro-3-nitrobenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.