(E)-2-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid
TL;DR: (E)-2-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid (CAS 853903-98-7) is a chemical compound with molecular formula C12H11NO4S2 and molecular weight 297.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: AS-871/43345879, (E)-2-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid, 2-[(5E)-5-[(furan-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid, F1951-0251, 2-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
| Molecular Formula | C12H11NO4S2 |
|---|---|
| Molecular Weight | 297.01 g/mol |
| LogP | 2.344 |
| Topological Polar Surface Area | 70.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.01294 |
| Heavy Atoms | 19 |
| Complexity | 550.08545 |
Chemical Identifiers
| CAS Number | 853903-98-7 |
|---|---|
| SMILES | CCC(C(=O)O)N1C(=O)/C(=C\C2=CC=CO2)/SC1=S |
Product Overview
(E)-2-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid (CAS 853903-98-7), with molecular formula C12H11NO4S2 and molecular weight 297.01 g/mol. IUPAC: 2-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid.
Chemical Property Profile of (E)-2-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid
Property Insights of (E)-2-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid
The XLogP value of 2.344 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid. The TPSA of 70.75 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid. Following Lipinski's Rule of Five, (E)-2-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic 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)-2-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
The CAS number of (E)-2-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid is 853903-98-7.
What is the molecular formula of (E)-2-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
The molecular formula of (E)-2-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid is C12H11NO4S2.
What is the molecular weight of (E)-2-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
The molecular weight of (E)-2-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid is 297.01 g/mol.
Where can I buy (E)-2-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
You can request a quote for (E)-2-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.