![(E)-ethyl 2-(3-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure](/static/products/6373/637317-82-9.webp)
(E)-ethyl 2-(3-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: (E)-ethyl 2-(3-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 637317-82-9) is a chemical compound with molecular formula C22H22N2O5S3 and molecular weight 490.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: (E)-ethyl 2-(3-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, F1063-1919, ethyl 2-[3-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-{3-[(5E)-5-[(furan-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-{3-[5-(2-furylmethylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl amino}-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C22H22N2O5S3 |
|---|---|
| Molecular Weight | 490.07 g/mol |
| LogP | 4.6266 |
| Topological Polar Surface Area | 88.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 490.0691 |
| Heavy Atoms | 32 |
| Complexity | 1087.4896 |
Chemical Identifiers
| CAS Number | 637317-82-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCN3C(=O)/C(=C\C4=CC=CO4)/SC3=S |
Product Overview
(E)-ethyl 2-(3-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 637317-82-9), with molecular formula C22H22N2O5S3 and molecular weight 490.07 g/mol. IUPAC: ethyl 2-[3-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of (E)-ethyl 2-(3-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of (E)-ethyl 2-(3-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
The XLogP value of 4.6266 indicates that (E)-ethyl 2-(3-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.85 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 2-(3-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, (E)-ethyl 2-(3-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 8 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)-ethyl 2-(3-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The CAS number of (E)-ethyl 2-(3-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 637317-82-9.
What is the molecular formula of (E)-ethyl 2-(3-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular formula of (E)-ethyl 2-(3-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C22H22N2O5S3.
What is the molecular weight of (E)-ethyl 2-(3-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular weight of (E)-ethyl 2-(3-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 490.07 g/mol.
Where can I buy (E)-ethyl 2-(3-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
You can request a quote for (E)-ethyl 2-(3-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 2-(3-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 2-(3-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.