(Z)-4-(5-(4-carboxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid
TL;DR: (Z)-4-(5-(4-carboxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid (CAS 1100514-57-5) is a chemical compound with molecular formula C18H11NO5S2 and molecular weight 385.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(Z)-[3-(4-carboxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
Also Known As: F1950-0010, (Z)-4-(5-(4-carboxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid, 4-[(5Z)-5-[(4-CARBOXYPHENYL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]BENZOIC ACID, 4-[(Z)-[3-(4-carboxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid, 4-{5-[(4-carboxyphenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzoic acid
| Molecular Formula | C18H11NO5S2 |
|---|---|
| Molecular Weight | 385.01 g/mol |
| LogP | 3.4888 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.00787 |
| Heavy Atoms | 26 |
| Complexity | 948.5517 |
Chemical Identifiers
| CAS Number | 1100514-57-5 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C\2/C(=O)N(C(=S)S2)C3=CC=C(C=C3)C(=O)O)C(=O)O |
Product Overview
(Z)-4-(5-(4-carboxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid (CAS 1100514-57-5), with molecular formula C18H11NO5S2 and molecular weight 385.01 g/mol. IUPAC: 4-[(Z)-[3-(4-carboxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid.
Chemical Property Profile of (Z)-4-(5-(4-carboxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid
Property Insights of (Z)-4-(5-(4-carboxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid
The XLogP value of 3.4888 indicates that (Z)-4-(5-(4-carboxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.91 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-4-(5-(4-carboxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid. Following Lipinski's Rule of Five, (Z)-4-(5-(4-carboxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)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-(5-(4-carboxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid?
The CAS number of (Z)-4-(5-(4-carboxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid is 1100514-57-5.
What is the molecular formula of (Z)-4-(5-(4-carboxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid?
The molecular formula of (Z)-4-(5-(4-carboxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid is C18H11NO5S2.
What is the molecular weight of (Z)-4-(5-(4-carboxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid?
The molecular weight of (Z)-4-(5-(4-carboxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid is 385.01 g/mol.
Where can I buy (Z)-4-(5-(4-carboxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid?
You can request a quote for (Z)-4-(5-(4-carboxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)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-(5-(4-carboxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-(5-(4-carboxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.