![2-{[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]carbamoyl}phenolate structure](/static/products/840/840463-53-8.png)
2-{[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]carbamoyl}phenolate
TL;DR: 2-{[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]carbamoyl}phenolate (CAS 840463-53-8) is a chemical compound with molecular formula C16H11N3O3S2 and molecular weight 357.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-N-[(5Z)-4-oxo-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
Also Known As: 2-{[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]carbamoyl}phenolate, (Z)-2-hydroxy-N-(4-oxo-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-3-yl)benzamide, (2-hydroxyphenyl)-N-[4-oxo-5-(2-pyridylmethylene)-2-thioxo(1,3-thiazolidin-3-y l)]carboxamide, 2-hydroxy-N-[(5Z)-4-oxo-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
| Molecular Formula | C16H11N3O3S2 |
|---|---|
| Molecular Weight | 357.02 g/mol |
| LogP | 2.3334 |
| Topological Polar Surface Area | 82.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.02417 |
| Heavy Atoms | 24 |
| Complexity | 852.65594 |
Chemical Identifiers
| CAS Number | 840463-53-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NN2C(=O)/C(=C/C3=CC=CC=N3)/SC2=S)O |
Product Overview
2-{[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]carbamoyl}phenolate (CAS 840463-53-8), with molecular formula C16H11N3O3S2 and molecular weight 357.02 g/mol. IUPAC: 2-hydroxy-N-[(5Z)-4-oxo-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide.
Chemical Property Profile of 2-{[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]carbamoyl}phenolate
Property Insights of 2-{[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]carbamoyl}phenolate
The XLogP value of 2.3334 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]carbamoyl}phenolate. The TPSA of 82.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]carbamoyl}phenolate. Following Lipinski's Rule of Five, 2-{[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]carbamoyl}phenolate has 2 hydrogen bond donor(s) and 6 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 2-{[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]carbamoyl}phenolate?
The CAS number of 2-{[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]carbamoyl}phenolate is 840463-53-8.
What is the molecular formula of 2-{[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]carbamoyl}phenolate?
The molecular formula of 2-{[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]carbamoyl}phenolate is C16H11N3O3S2.
What is the molecular weight of 2-{[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]carbamoyl}phenolate?
The molecular weight of 2-{[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]carbamoyl}phenolate is 357.02 g/mol.
Where can I buy 2-{[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]carbamoyl}phenolate?
You can request a quote for 2-{[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]carbamoyl}phenolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]carbamoyl}phenolate?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(5Z)-4-oxo-5-(pyridinium-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]carbamoyl}phenolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.