(E)-methyl 4-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate
TL;DR: (E)-methyl 4-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate (CAS 22035-17-2) is a chemical compound with molecular formula C13H13NO4S2 and molecular weight 311.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate
Also Known As: F1063-2123, (E)-methyl 4-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate, methyl 4-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate, methyl 4-[(5E)-5-[(furan-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate, methyl 4-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoate
| Molecular Formula | C13H13NO4S2 |
|---|---|
| Molecular Weight | 311.03 g/mol |
| LogP | 2.434 |
| Topological Polar Surface Area | 59.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.0286 |
| Heavy Atoms | 20 |
| Complexity | 550.72723 |
Chemical Identifiers
| CAS Number | 22035-17-2 |
|---|---|
| SMILES | COC(=O)CCCN1C(=O)/C(=C\C2=CC=CO2)/SC1=S |
Product Overview
(E)-methyl 4-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate (CAS 22035-17-2), with molecular formula C13H13NO4S2 and molecular weight 311.03 g/mol. IUPAC: methyl 4-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate.
Chemical Property Profile of (E)-methyl 4-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate
Property Insights of (E)-methyl 4-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate
The XLogP value of 2.434 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-methyl 4-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate. With a topological polar surface area (TPSA) of 59.75 Ų, (E)-methyl 4-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-methyl 4-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate has 0 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 (E)-methyl 4-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate?
The CAS number of (E)-methyl 4-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate is 22035-17-2.
What is the molecular formula of (E)-methyl 4-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate?
The molecular formula of (E)-methyl 4-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate is C13H13NO4S2.
What is the molecular weight of (E)-methyl 4-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate?
The molecular weight of (E)-methyl 4-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate is 311.03 g/mol.
Where can I buy (E)-methyl 4-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate?
You can request a quote for (E)-methyl 4-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 4-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 4-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.