Ethyl 2-tert-butyl-5-(cyanomethoxy)-1-benzofuran-3-carboxylate
TL;DR: Ethyl 2-tert-butyl-5-(cyanomethoxy)-1-benzofuran-3-carboxylate (CAS 384800-06-0) is a chemical compound with molecular formula C17H19NO4 and molecular weight 301.1314 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-tert-butyl-5-(cyanomethoxy)-1-benzofuran-3-carboxylate
Also Known As: ethyl 2-tert-butyl-5-(cyanomethoxy)-1-benzofuran-3-carboxylate, ethyl 2-(tert-butyl)-5-(cyanomethoxy)benzofuran-3-carboxylate, F1190-0390, 2-tert-butyl-5-cyanomethoxy-benzofuran-3-carboxylic acid ethyl ester, ethyl 2-(tert-butyl)-5-(cyanomethoxy)benzo[b]furan-3-carboxylate
Technical Specifications
| Molecular Formula | C17H19NO4 |
| Molecular Weight | 301.1314 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 72.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.1314 Da |
| Heavy Atoms | 22 |
| Complexity | 447.0 |
| SMILES | CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC#N)C(C)(C)C |
| InChIKey | UTHDMBMEFZHWNK-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-tert-butyl-5-(cyanomethoxy)-1-benzofuran-3-carboxylate
Property Insights of Ethyl 2-tert-butyl-5-(cyanomethoxy)-1-benzofuran-3-carboxylate
The XLogP value of 4.0 indicates that Ethyl 2-tert-butyl-5-(cyanomethoxy)-1-benzofuran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-tert-butyl-5-(cyanomethoxy)-1-benzofuran-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-tert-butyl-5-(cyanomethoxy)-1-benzofuran-3-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 2-tert-butyl-5-(cyanomethoxy)-1-benzofuran-3-carboxylate?
The CAS number of Ethyl 2-tert-butyl-5-(cyanomethoxy)-1-benzofuran-3-carboxylate is 384800-06-0.
What is the molecular formula of Ethyl 2-tert-butyl-5-(cyanomethoxy)-1-benzofuran-3-carboxylate?
The molecular formula of Ethyl 2-tert-butyl-5-(cyanomethoxy)-1-benzofuran-3-carboxylate is C17H19NO4.
What is the molecular weight of Ethyl 2-tert-butyl-5-(cyanomethoxy)-1-benzofuran-3-carboxylate?
The molecular weight of Ethyl 2-tert-butyl-5-(cyanomethoxy)-1-benzofuran-3-carboxylate is 301.1314 g/mol.
Where can I buy Ethyl 2-tert-butyl-5-(cyanomethoxy)-1-benzofuran-3-carboxylate?
You can request a quote for Ethyl 2-tert-butyl-5-(cyanomethoxy)-1-benzofuran-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-tert-butyl-5-(cyanomethoxy)-1-benzofuran-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-tert-butyl-5-(cyanomethoxy)-1-benzofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.