(Z)-4-(3-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid
TL;DR: (Z)-4-(3-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid (CAS 356572-49-1) is a chemical compound with molecular formula C22H20N2O4S2 and molecular weight 440.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid
Also Known As: (Z)-4-(3-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid, F0881-0097, 4-{3-[(5Z)-5-[(4-ETHYLPHENYL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]PROPANAMIDO}BENZOIC ACID, 4-[3-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid, 4-(3-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid
| Molecular Formula | C22H20N2O4S2 |
|---|---|
| Molecular Weight | 440.09 g/mol |
| LogP | 4.1772 |
| Topological Polar Surface Area | 86.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 440.08646 |
| Heavy Atoms | 30 |
| Complexity | 1014.438 |
Chemical Identifiers
| CAS Number | 356572-49-1 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CC=C(C=C3)C(=O)O |
Product Overview
(Z)-4-(3-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid (CAS 356572-49-1), with molecular formula C22H20N2O4S2 and molecular weight 440.09 g/mol. IUPAC: 4-[3-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid.
Chemical Property Profile of (Z)-4-(3-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid
Property Insights of (Z)-4-(3-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid
The XLogP value of 4.1772 indicates that (Z)-4-(3-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.71 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-4-(3-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid. Following Lipinski's Rule of Five, (Z)-4-(3-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid has 2 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 (Z)-4-(3-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid?
The CAS number of (Z)-4-(3-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid is 356572-49-1.
What is the molecular formula of (Z)-4-(3-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid?
The molecular formula of (Z)-4-(3-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid is C22H20N2O4S2.
What is the molecular weight of (Z)-4-(3-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid?
The molecular weight of (Z)-4-(3-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid is 440.09 g/mol.
Where can I buy (Z)-4-(3-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid?
You can request a quote for (Z)-4-(3-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-4-(3-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-(3-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.