![Ethyl 3-[[2-(4-tert-butylphenyl)sulfonyl-2-cyano-vinyl]amino]benzoate structure](/static/products/1026/1026373-65-8.webp)
Ethyl 3-[[2-(4-tert-butylphenyl)sulfonyl-2-cyano-vinyl]amino]benzoate
TL;DR: Ethyl 3-[[2-(4-tert-butylphenyl)sulfonyl-2-cyano-vinyl]amino]benzoate (CAS 1026373-65-8) is a chemical compound with molecular formula C22H24N2O4S and molecular weight 412.1457 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-[[2-(4-tert-butylphenyl)sulfonyl-2-cyanoethenyl]amino]benzoate
Also Known As: ETHYL 3-((2-((4-(TERT-BUTYL)PHENYL)SULFONYL)-2-CYANOVINYL)AMINO)BENZOATE, ethyl 3-[[2-(4-tert-butylphenyl)sulfonyl-2-cyano-vinyl]amino]benzoate, ethyl 3-[[2-(4-tert-butylphenyl)sulfonyl-2-cyanoethenyl]amino]benzoate, Ethyl 3-[[2-cyano-2-(4-tert-butylphenyl)sulfonyl-ethenyl]amino]benzoate
Technical Specifications
| Molecular Formula | C22H24N2O4S |
| Molecular Weight | 412.1457 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 412.1457 Da |
| Heavy Atoms | 29 |
| Complexity | 744.0 |
| SMILES | CCOC(=O)C1=CC(=CC=C1)NC=C(C#N)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C |
| InChIKey | YGUZHFKNMKTWIN-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3-[[2-(4-tert-butylphenyl)sulfonyl-2-cyano-vinyl]amino]benzoate
Property Insights of Ethyl 3-[[2-(4-tert-butylphenyl)sulfonyl-2-cyano-vinyl]amino]benzoate
The XLogP value of 5.2 indicates that Ethyl 3-[[2-(4-tert-butylphenyl)sulfonyl-2-cyano-vinyl]amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[[2-(4-tert-butylphenyl)sulfonyl-2-cyano-vinyl]amino]benzoate. Following Lipinski's Rule of Five, Ethyl 3-[[2-(4-tert-butylphenyl)sulfonyl-2-cyano-vinyl]amino]benzoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Ethyl 3-[[2-(4-tert-butylphenyl)sulfonyl-2-cyano-vinyl]amino]benzoate?
The CAS number of Ethyl 3-[[2-(4-tert-butylphenyl)sulfonyl-2-cyano-vinyl]amino]benzoate is 1026373-65-8.
What is the molecular formula of Ethyl 3-[[2-(4-tert-butylphenyl)sulfonyl-2-cyano-vinyl]amino]benzoate?
The molecular formula of Ethyl 3-[[2-(4-tert-butylphenyl)sulfonyl-2-cyano-vinyl]amino]benzoate is C22H24N2O4S.
What is the molecular weight of Ethyl 3-[[2-(4-tert-butylphenyl)sulfonyl-2-cyano-vinyl]amino]benzoate?
The molecular weight of Ethyl 3-[[2-(4-tert-butylphenyl)sulfonyl-2-cyano-vinyl]amino]benzoate is 412.1457 g/mol.
Where can I buy Ethyl 3-[[2-(4-tert-butylphenyl)sulfonyl-2-cyano-vinyl]amino]benzoate?
You can request a quote for Ethyl 3-[[2-(4-tert-butylphenyl)sulfonyl-2-cyano-vinyl]amino]benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-[[2-(4-tert-butylphenyl)sulfonyl-2-cyano-vinyl]amino]benzoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-[[2-(4-tert-butylphenyl)sulfonyl-2-cyano-vinyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.