(E)-5-(furan-2-ylmethylene)-3-(4-oxo-4-(pyrrolidin-1-yl)butyl)-2-thioxothiazolidin-4-one
TL;DR: (E)-5-(furan-2-ylmethylene)-3-(4-oxo-4-(pyrrolidin-1-yl)butyl)-2-thioxothiazolidin-4-one (CAS 682763-98-0) is a chemical compound with molecular formula C16H18N2O3S2 and molecular weight 350.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-(furan-2-ylmethylidene)-3-(4-oxo-4-pyrrolidin-1-ylbutyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (E)-5-(furan-2-ylmethylene)-3-(4-oxo-4-(pyrrolidin-1-yl)butyl)-2-thioxothiazolidin-4-one, F1063-2032, (5E)-5-(furan-2-ylmethylidene)-3-(4-oxo-4-pyrrolidin-1-ylbutyl)-2-sulfanylidene-1,3-thiazolidin-4-one, (5E)-5-[(furan-2-yl)methylidene]-3-[4-oxo-4-(pyrrolidin-1-yl)butyl]-2-sulfanylidene-1,3-thiazolidin-4-one, 5-(2-furylmethylene)-3-(4-oxo-4-pyrrolidinylbutyl)-2-thioxo-1,3-thiazolidin-4- one
| Molecular Formula | C16H18N2O3S2 |
|---|---|
| Molecular Weight | 350.08 g/mol |
| LogP | 2.8834 |
| Topological Polar Surface Area | 53.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.0759 |
| Heavy Atoms | 23 |
| Complexity | 633.7604 |
Chemical Identifiers
| CAS Number | 682763-98-0 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CCCN2C(=O)/C(=C\C3=CC=CO3)/SC2=S |
Product Overview
(E)-5-(furan-2-ylmethylene)-3-(4-oxo-4-(pyrrolidin-1-yl)butyl)-2-thioxothiazolidin-4-one (CAS 682763-98-0), with molecular formula C16H18N2O3S2 and molecular weight 350.08 g/mol. IUPAC: (5E)-5-(furan-2-ylmethylidene)-3-(4-oxo-4-pyrrolidin-1-ylbutyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (E)-5-(furan-2-ylmethylene)-3-(4-oxo-4-(pyrrolidin-1-yl)butyl)-2-thioxothiazolidin-4-one
Property Insights of (E)-5-(furan-2-ylmethylene)-3-(4-oxo-4-(pyrrolidin-1-yl)butyl)-2-thioxothiazolidin-4-one
The XLogP value of 2.8834 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-5-(furan-2-ylmethylene)-3-(4-oxo-4-(pyrrolidin-1-yl)butyl)-2-thioxothiazolidin-4-one. With a topological polar surface area (TPSA) of 53.76 Ų, (E)-5-(furan-2-ylmethylene)-3-(4-oxo-4-(pyrrolidin-1-yl)butyl)-2-thioxothiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-5-(furan-2-ylmethylene)-3-(4-oxo-4-(pyrrolidin-1-yl)butyl)-2-thioxothiazolidin-4-one has 0 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)-5-(furan-2-ylmethylene)-3-(4-oxo-4-(pyrrolidin-1-yl)butyl)-2-thioxothiazolidin-4-one?
The CAS number of (E)-5-(furan-2-ylmethylene)-3-(4-oxo-4-(pyrrolidin-1-yl)butyl)-2-thioxothiazolidin-4-one is 682763-98-0.
What is the molecular formula of (E)-5-(furan-2-ylmethylene)-3-(4-oxo-4-(pyrrolidin-1-yl)butyl)-2-thioxothiazolidin-4-one?
The molecular formula of (E)-5-(furan-2-ylmethylene)-3-(4-oxo-4-(pyrrolidin-1-yl)butyl)-2-thioxothiazolidin-4-one is C16H18N2O3S2.
What is the molecular weight of (E)-5-(furan-2-ylmethylene)-3-(4-oxo-4-(pyrrolidin-1-yl)butyl)-2-thioxothiazolidin-4-one?
The molecular weight of (E)-5-(furan-2-ylmethylene)-3-(4-oxo-4-(pyrrolidin-1-yl)butyl)-2-thioxothiazolidin-4-one is 350.08 g/mol.
Where can I buy (E)-5-(furan-2-ylmethylene)-3-(4-oxo-4-(pyrrolidin-1-yl)butyl)-2-thioxothiazolidin-4-one?
You can request a quote for (E)-5-(furan-2-ylmethylene)-3-(4-oxo-4-(pyrrolidin-1-yl)butyl)-2-thioxothiazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-5-(furan-2-ylmethylene)-3-(4-oxo-4-(pyrrolidin-1-yl)butyl)-2-thioxothiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(furan-2-ylmethylene)-3-(4-oxo-4-(pyrrolidin-1-yl)butyl)-2-thioxothiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.