![(Z)-ethyl 2-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure](/static/products/315/315243-74-4.png)
(Z)-ethyl 2-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: (Z)-ethyl 2-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 315243-74-4) is a chemical compound with molecular formula C27H30N2O4S3 and molecular weight 542.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: (Z)-ethyl 2-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-({4-[(5Z)-5-(4-ethylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C27H30N2O4S3 |
|---|---|
| Molecular Weight | 542.14 g/mol |
| LogP | 5.9861 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 542.1368 |
| Heavy Atoms | 36 |
| Complexity | 1200.3462 |
Chemical Identifiers
| CAS Number | 315243-74-4 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC |
Product Overview
(Z)-ethyl 2-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 315243-74-4), with molecular formula C27H30N2O4S3 and molecular weight 542.14 g/mol. IUPAC: ethyl 2-[4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of (Z)-ethyl 2-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of (Z)-ethyl 2-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
The XLogP value of 5.9861 indicates that (Z)-ethyl 2-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamido)-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 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-ethyl 2-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, (Z)-ethyl 2-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-ethyl 2-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The CAS number of (Z)-ethyl 2-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 315243-74-4.
What is the molecular formula of (Z)-ethyl 2-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular formula of (Z)-ethyl 2-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C27H30N2O4S3.
What is the molecular weight of (Z)-ethyl 2-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular weight of (Z)-ethyl 2-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 542.14 g/mol.
Where can I buy (Z)-ethyl 2-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
You can request a quote for (Z)-ethyl 2-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamido)-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 (Z)-ethyl 2-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-ethyl 2-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.