3-((E)-((Z)-3-ethyl-4-oxo-5-(4-(prop-2-yn-1-yloxy)benzylidene)thiazolidin-2-ylidene)amino)benzoic acid
TL;DR: 3-((E)-((Z)-3-ethyl-4-oxo-5-(4-(prop-2-yn-1-yloxy)benzylidene)thiazolidin-2-ylidene)amino)benzoic acid (CAS 799779-61-6) is a chemical compound with molecular formula C22H18N2O4S and molecular weight 406.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(5Z)-3-ethyl-4-oxo-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]benzoic acid
Also Known As: 3-((E)-((Z)-3-ethyl-4-oxo-5-(4-(prop-2-yn-1-yloxy)benzylidene)thiazolidin-2-ylidene)amino)benzoic acid, 3-[[(5Z)-3-ethyl-4-oxo-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]benzoic acid
| Molecular Formula | C22H18N2O4S |
|---|---|
| Molecular Weight | 406.10 g/mol |
| LogP | 4.0207 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.09872 |
| Heavy Atoms | 29 |
| Complexity | 1035.523 |
Chemical Identifiers
| CAS Number | 799779-61-6 |
|---|---|
| SMILES | CCN1C(=O)/C(=C/C2=CC=C(C=C2)OCC#C)/SC1=NC3=CC=CC(=C3)C(=O)O |
Product Overview
3-((E)-((Z)-3-ethyl-4-oxo-5-(4-(prop-2-yn-1-yloxy)benzylidene)thiazolidin-2-ylidene)amino)benzoic acid (CAS 799779-61-6), with molecular formula C22H18N2O4S and molecular weight 406.10 g/mol. IUPAC: 3-[[(5Z)-3-ethyl-4-oxo-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]benzoic acid.
Chemical Property Profile of 3-((E)-((Z)-3-ethyl-4-oxo-5-(4-(prop-2-yn-1-yloxy)benzylidene)thiazolidin-2-ylidene)amino)benzoic acid
Property Insights of 3-((E)-((Z)-3-ethyl-4-oxo-5-(4-(prop-2-yn-1-yloxy)benzylidene)thiazolidin-2-ylidene)amino)benzoic acid
The XLogP value of 4.0207 indicates that 3-((E)-((Z)-3-ethyl-4-oxo-5-(4-(prop-2-yn-1-yloxy)benzylidene)thiazolidin-2-ylidene)amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((E)-((Z)-3-ethyl-4-oxo-5-(4-(prop-2-yn-1-yloxy)benzylidene)thiazolidin-2-ylidene)amino)benzoic acid. Following Lipinski's Rule of Five, 3-((E)-((Z)-3-ethyl-4-oxo-5-(4-(prop-2-yn-1-yloxy)benzylidene)thiazolidin-2-ylidene)amino)benzoic acid has 1 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 3-((E)-((Z)-3-ethyl-4-oxo-5-(4-(prop-2-yn-1-yloxy)benzylidene)thiazolidin-2-ylidene)amino)benzoic acid?
The CAS number of 3-((E)-((Z)-3-ethyl-4-oxo-5-(4-(prop-2-yn-1-yloxy)benzylidene)thiazolidin-2-ylidene)amino)benzoic acid is 799779-61-6.
What is the molecular formula of 3-((E)-((Z)-3-ethyl-4-oxo-5-(4-(prop-2-yn-1-yloxy)benzylidene)thiazolidin-2-ylidene)amino)benzoic acid?
The molecular formula of 3-((E)-((Z)-3-ethyl-4-oxo-5-(4-(prop-2-yn-1-yloxy)benzylidene)thiazolidin-2-ylidene)amino)benzoic acid is C22H18N2O4S.
What is the molecular weight of 3-((E)-((Z)-3-ethyl-4-oxo-5-(4-(prop-2-yn-1-yloxy)benzylidene)thiazolidin-2-ylidene)amino)benzoic acid?
The molecular weight of 3-((E)-((Z)-3-ethyl-4-oxo-5-(4-(prop-2-yn-1-yloxy)benzylidene)thiazolidin-2-ylidene)amino)benzoic acid is 406.10 g/mol.
Where can I buy 3-((E)-((Z)-3-ethyl-4-oxo-5-(4-(prop-2-yn-1-yloxy)benzylidene)thiazolidin-2-ylidene)amino)benzoic acid?
You can request a quote for 3-((E)-((Z)-3-ethyl-4-oxo-5-(4-(prop-2-yn-1-yloxy)benzylidene)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-((E)-((Z)-3-ethyl-4-oxo-5-(4-(prop-2-yn-1-yloxy)benzylidene)thiazolidin-2-ylidene)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((E)-((Z)-3-ethyl-4-oxo-5-(4-(prop-2-yn-1-yloxy)benzylidene)thiazolidin-2-ylidene)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.