(E)-3-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)propanoic acid
TL;DR: (E)-3-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)propanoic acid (CAS 301683-61-4) is a chemical compound with molecular formula C12H10N2O3S2 and molecular weight 294.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5E)-4-oxo-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: (E)-3-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)propanoic acid, 3-[(5E)-4-oxo-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid, 3-[(5E)-4-oxo-5-(3-pyridinylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid, 3-[(5E)-4-oxo-5-(pyridin-3-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid, 3-[(E)-4-oxo-5-[(3-pyridyl)methylene]-2-thioxo-1,3-thiazolidin-3-yl]propionic acid
| Molecular Formula | C12H10N2O3S2 |
|---|---|
| Molecular Weight | 294.01 g/mol |
| LogP | 1.7575 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.01328 |
| Heavy Atoms | 19 |
| Complexity | 557.3527 |
Chemical Identifiers
| CAS Number | 301683-61-4 |
|---|---|
| SMILES | C1=CC(=CN=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)O |
Product Overview
(E)-3-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)propanoic acid (CAS 301683-61-4), with molecular formula C12H10N2O3S2 and molecular weight 294.01 g/mol. IUPAC: 3-[(5E)-4-oxo-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of (E)-3-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)propanoic acid
Property Insights of (E)-3-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)propanoic acid
The XLogP value of 1.7575 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)propanoic acid. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)propanoic acid. Following Lipinski's Rule of Five, (E)-3-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)propanoic 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 (E)-3-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)propanoic acid?
The CAS number of (E)-3-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)propanoic acid is 301683-61-4.
What is the molecular formula of (E)-3-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)propanoic acid?
The molecular formula of (E)-3-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)propanoic acid is C12H10N2O3S2.
What is the molecular weight of (E)-3-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)propanoic acid?
The molecular weight of (E)-3-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)propanoic acid is 294.01 g/mol.
Where can I buy (E)-3-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)propanoic acid?
You can request a quote for (E)-3-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.