![3-[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoate structure](/static/products/840/840462-27-3.png)
3-[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoate
TL;DR: 3-[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoate (CAS 840462-27-3) 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.
3-[(5Z)-4-oxo-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
Also Known As: 3-[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoate, (Z)-3-(4-oxo-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-3-yl)benzoic acid, 3-[4-oxo-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic Acid, 3-[(5Z)-4-oxo-5-(pyridin-2-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 | 834.2288 |
Chemical Identifiers
| CAS Number | 840462-27-3 |
|---|---|
| SMILES | C1=CC=NC(=C1)/C=C\2/C(=O)N(C(=S)S2)C3=CC=CC(=C3)C(=O)O |
Product Overview
3-[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoate (CAS 840462-27-3), with molecular formula C16H10N2O3S2 and molecular weight 342.01 g/mol. IUPAC: 3-[(5Z)-4-oxo-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid.
Chemical Property Profile of 3-[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoate
Property Insights of 3-[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoate
The XLogP value of 3.1856 indicates that 3-[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoate 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 3-[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoate. Following Lipinski's Rule of Five, 3-[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoate 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-[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoate?
The CAS number of 3-[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoate is 840462-27-3.
What is the molecular formula of 3-[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoate?
The molecular formula of 3-[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoate is C16H10N2O3S2.
What is the molecular weight of 3-[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoate?
The molecular weight of 3-[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoate is 342.01 g/mol.
Where can I buy 3-[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoate?
You can request a quote for 3-[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.