(E)-2-(diethylamino)ethyl 4-(3-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoate
TL;DR: (E)-2-(diethylamino)ethyl 4-(3-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoate (CAS 1322879-20-8) is a chemical compound with molecular formula C27H31N3O5S2 and molecular weight 541.17053 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(diethylamino)ethyl 4-[3-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoate
Also Known As: (E)-2-(diethylamino)ethyl 4-(3-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoate, 2-diethylaminoethyl 4-[3-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoate
Technical Specifications
| Molecular Formula | C27H31N3O5S2 |
| Molecular Weight | 541.17053 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 146.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 541.17053 Da |
| Heavy Atoms | 37 |
| Complexity | 832.0 |
| SMILES | CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)/C(=C\C3=CC=C(C=C3)OC)/SC2=S |
| InChIKey | RKGRVQGVHHYWIH-PTGBLXJZSA-N |
Chemical Property Profile of (E)-2-(diethylamino)ethyl 4-(3-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoate
Property Insights of (E)-2-(diethylamino)ethyl 4-(3-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoate
The XLogP value of 4.4 indicates that (E)-2-(diethylamino)ethyl 4-(3-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.0 Ų indicates high polarity, suggesting (E)-2-(diethylamino)ethyl 4-(3-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-2-(diethylamino)ethyl 4-(3-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (E)-2-(diethylamino)ethyl 4-(3-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoate?
The CAS number of (E)-2-(diethylamino)ethyl 4-(3-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoate is 1322879-20-8.
What is the molecular formula of (E)-2-(diethylamino)ethyl 4-(3-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoate?
The molecular formula of (E)-2-(diethylamino)ethyl 4-(3-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoate is C27H31N3O5S2.
What is the molecular weight of (E)-2-(diethylamino)ethyl 4-(3-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoate?
The molecular weight of (E)-2-(diethylamino)ethyl 4-(3-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoate is 541.17053 g/mol.
Where can I buy (E)-2-(diethylamino)ethyl 4-(3-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoate?
You can request a quote for (E)-2-(diethylamino)ethyl 4-(3-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-2-(diethylamino)ethyl 4-(3-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoate?
Yes, CoreyChem provides custom synthesis services for (E)-2-(diethylamino)ethyl 4-(3-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.