2-((Z)-5-((E)-3-(furan-2-yl)allylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid
TL;DR: 2-((Z)-5-((E)-3-(furan-2-yl)allylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid (CAS 861138-33-2) is a chemical compound with molecular formula C14H13NO4S2 and molecular weight 323.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: 2-((Z)-5-((E)-3-(furan-2-yl)allylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid, F1951-0296, 2-[(5Z)-5-[(2E)-3-(FURAN-2-YL)PROP-2-EN-1-YLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]BUTANOIC ACID, 2-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid, 2-[5-((2E)-3-(2-furyl)prop-2-enylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]bu tanoic acid
| Molecular Formula | C14H13NO4S2 |
|---|---|
| Molecular Weight | 323.03 g/mol |
| LogP | 2.9002 |
| Topological Polar Surface Area | 70.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.0286 |
| Heavy Atoms | 21 |
| Complexity | 618.92834 |
Chemical Identifiers
| CAS Number | 861138-33-2 |
|---|---|
| SMILES | CCC(C(=O)O)N1C(=O)/C(=C/C=C/C2=CC=CO2)/SC1=S |
Product Overview
2-((Z)-5-((E)-3-(furan-2-yl)allylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid (CAS 861138-33-2), with molecular formula C14H13NO4S2 and molecular weight 323.03 g/mol. IUPAC: 2-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid.
Chemical Property Profile of 2-((Z)-5-((E)-3-(furan-2-yl)allylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid
Property Insights of 2-((Z)-5-((E)-3-(furan-2-yl)allylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid
The XLogP value of 2.9002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((Z)-5-((E)-3-(furan-2-yl)allylidene)-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 2-((Z)-5-((E)-3-(furan-2-yl)allylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid. Following Lipinski's Rule of Five, 2-((Z)-5-((E)-3-(furan-2-yl)allylidene)-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 2-((Z)-5-((E)-3-(furan-2-yl)allylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
The CAS number of 2-((Z)-5-((E)-3-(furan-2-yl)allylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid is 861138-33-2.
What is the molecular formula of 2-((Z)-5-((E)-3-(furan-2-yl)allylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
The molecular formula of 2-((Z)-5-((E)-3-(furan-2-yl)allylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid is C14H13NO4S2.
What is the molecular weight of 2-((Z)-5-((E)-3-(furan-2-yl)allylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
The molecular weight of 2-((Z)-5-((E)-3-(furan-2-yl)allylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid is 323.03 g/mol.
Where can I buy 2-((Z)-5-((E)-3-(furan-2-yl)allylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
You can request a quote for 2-((Z)-5-((E)-3-(furan-2-yl)allylidene)-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 2-((Z)-5-((E)-3-(furan-2-yl)allylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((Z)-5-((E)-3-(furan-2-yl)allylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.