![3-{[(2E,5Z)-5-{2-[(4-carboxybenzyl)oxy]benzylidene}-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid structure](/static/products/799/799784-07-9.png)
3-{[(2E,5Z)-5-{2-[(4-carboxybenzyl)oxy]benzylidene}-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid
TL;DR: 3-{[(2E,5Z)-5-{2-[(4-carboxybenzyl)oxy]benzylidene}-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid (CAS 799784-07-9) is a chemical compound with molecular formula C26H20N2O6S and molecular weight 488.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(5Z)-5-[[2-[(4-carboxyphenyl)methoxy]phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
Also Known As: 3-{[(2E,5Z)-5-{2-[(4-carboxybenzyl)oxy]benzylidene}-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid, 3-((E)-((Z)-5-(2-((4-carboxybenzyl)oxy)benzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid, 3-[[(5Z)-5-[[2-[(4-carboxyphenyl)methoxy]phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
| Molecular Formula | C26H20N2O6S |
|---|---|
| Molecular Weight | 488.10 g/mol |
| LogP | 4.8958 |
| Topological Polar Surface Area | 116.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 488.10422 |
| Heavy Atoms | 35 |
| Complexity | 1364.2648 |
Chemical Identifiers
| CAS Number | 799784-07-9 |
|---|---|
| SMILES | CN1C(=O)/C(=C/C2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)O)/SC1=NC4=CC=CC(=C4)C(=O)O |
Product Overview
3-{[(2E,5Z)-5-{2-[(4-carboxybenzyl)oxy]benzylidene}-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid (CAS 799784-07-9), with molecular formula C26H20N2O6S and molecular weight 488.10 g/mol. IUPAC: 3-[[(5Z)-5-[[2-[(4-carboxyphenyl)methoxy]phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid.
Chemical Property Profile of 3-{[(2E,5Z)-5-{2-[(4-carboxybenzyl)oxy]benzylidene}-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid
Property Insights of 3-{[(2E,5Z)-5-{2-[(4-carboxybenzyl)oxy]benzylidene}-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid
The XLogP value of 4.8958 indicates that 3-{[(2E,5Z)-5-{2-[(4-carboxybenzyl)oxy]benzylidene}-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 116.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(2E,5Z)-5-{2-[(4-carboxybenzyl)oxy]benzylidene}-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid. Following Lipinski's Rule of Five, 3-{[(2E,5Z)-5-{2-[(4-carboxybenzyl)oxy]benzylidene}-3-methyl-4-oxo-1,3-thiazolidin-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-{[(2E,5Z)-5-{2-[(4-carboxybenzyl)oxy]benzylidene}-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid?
The CAS number of 3-{[(2E,5Z)-5-{2-[(4-carboxybenzyl)oxy]benzylidene}-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid is 799784-07-9.
What is the molecular formula of 3-{[(2E,5Z)-5-{2-[(4-carboxybenzyl)oxy]benzylidene}-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid?
The molecular formula of 3-{[(2E,5Z)-5-{2-[(4-carboxybenzyl)oxy]benzylidene}-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid is C26H20N2O6S.
What is the molecular weight of 3-{[(2E,5Z)-5-{2-[(4-carboxybenzyl)oxy]benzylidene}-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid?
The molecular weight of 3-{[(2E,5Z)-5-{2-[(4-carboxybenzyl)oxy]benzylidene}-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid is 488.10 g/mol.
Where can I buy 3-{[(2E,5Z)-5-{2-[(4-carboxybenzyl)oxy]benzylidene}-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid?
You can request a quote for 3-{[(2E,5Z)-5-{2-[(4-carboxybenzyl)oxy]benzylidene}-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-{[(2E,5Z)-5-{2-[(4-carboxybenzyl)oxy]benzylidene}-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(2E,5Z)-5-{2-[(4-carboxybenzyl)oxy]benzylidene}-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.