(Z)-ethyl 4-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoyl)piperazine-1-carboxylate
TL;DR: (Z)-ethyl 4-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoyl)piperazine-1-carboxylate (CAS 374616-95-2) is a chemical compound with molecular formula C23H29N3O4S2 and molecular weight 475.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl]piperazine-1-carboxylate
Also Known As: (Z)-ethyl 4-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoyl)piperazine-1-carboxylate, F0833-0107, ETHYL 4-{4-[(5Z)-5-[(4-ETHYLPHENYL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]BUTANOYL}PIPERAZINE-1-CARBOXYLATE, ethyl 4-[4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl]piperazine-1-carboxylate, ethyl 4-(4-{5-[(4-ethylphenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}b utanoyl)piperazinecarboxylate
| Molecular Formula | C23H29N3O4S2 |
|---|---|
| Molecular Weight | 475.16 g/mol |
| LogP | 3.5311 |
| Topological Polar Surface Area | 70.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 475.15994 |
| Heavy Atoms | 32 |
| Complexity | 893.0075 |
Chemical Identifiers
| CAS Number | 374616-95-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)N3CCN(CC3)C(=O)OCC |
Product Overview
(Z)-ethyl 4-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoyl)piperazine-1-carboxylate (CAS 374616-95-2), with molecular formula C23H29N3O4S2 and molecular weight 475.16 g/mol. IUPAC: ethyl 4-[4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl]piperazine-1-carboxylate.
Chemical Property Profile of (Z)-ethyl 4-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoyl)piperazine-1-carboxylate
Property Insights of (Z)-ethyl 4-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoyl)piperazine-1-carboxylate
The XLogP value of 3.5311 indicates that (Z)-ethyl 4-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoyl)piperazine-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.16 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-ethyl 4-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, (Z)-ethyl 4-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoyl)piperazine-1-carboxylate 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 (Z)-ethyl 4-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoyl)piperazine-1-carboxylate?
The CAS number of (Z)-ethyl 4-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoyl)piperazine-1-carboxylate is 374616-95-2.
What is the molecular formula of (Z)-ethyl 4-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoyl)piperazine-1-carboxylate?
The molecular formula of (Z)-ethyl 4-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoyl)piperazine-1-carboxylate is C23H29N3O4S2.
What is the molecular weight of (Z)-ethyl 4-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoyl)piperazine-1-carboxylate?
The molecular weight of (Z)-ethyl 4-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoyl)piperazine-1-carboxylate is 475.16 g/mol.
Where can I buy (Z)-ethyl 4-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoyl)piperazine-1-carboxylate?
You can request a quote for (Z)-ethyl 4-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoyl)piperazine-1-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 4-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-ethyl 4-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.