![4-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid structure](/static/products/4616/461682-85-9.webp)
4-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid
TL;DR: 4-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid (CAS 461682-85-9) is a chemical compound with molecular formula C16H10N2O3S2 and molecular weight 342.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
Also Known As: 4-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid, (Z)-4-(4-oxo-5-(pyridin-4-ylmethylene)-2-thioxothiazolidin-3-yl)benzoic acid, 4-[4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic Acid, 4-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
| Molecular Formula | C16H10N2O3S2 |
|---|---|
| Molecular Weight | 342.01 g/mol |
| LogP | 3.1856 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.01328 |
| Heavy Atoms | 23 |
| Complexity | 816.9788 |
Chemical Identifiers
| CAS Number | 461682-85-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)N2C(=O)/C(=C/C3=CC=NC=C3)/SC2=S |
Product Overview
4-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid (CAS 461682-85-9), with molecular formula C16H10N2O3S2 and molecular weight 342.01 g/mol. IUPAC: 4-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid.
Chemical Property Profile of 4-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid
Property Insights of 4-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid
The XLogP value of 3.1856 indicates that 4-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid. Following Lipinski's Rule of Five, 4-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]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 4-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid?
The CAS number of 4-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid is 461682-85-9.
What is the molecular formula of 4-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid?
The molecular formula of 4-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid is C16H10N2O3S2.
What is the molecular weight of 4-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid?
The molecular weight of 4-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid is 342.01 g/mol.
Where can I buy 4-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid?
You can request a quote for 4-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-thioxo-1,3-thiazolidin-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 4-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.