Ethyl 1-cyanocyclopropanecarboxylate
TL;DR: Ethyl 1-cyanocyclopropanecarboxylate (CAS 156408-68-3) is a chemical compound with molecular formula C7H9NO2 and molecular weight 139.06332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-cyanocyclopropane-1-carboxylate
Also Known As: Ethyl 1-cyanocyclopropanecarboxylate, Ethyl 1-cyano-1-cyclopropanecarboxylate, ethyl 1-cyanocyclopropane-1-carboxylate, Cyclopropanecarboxylic acid, 1-cyano-, ethyl ester, 1-cyano-cyclopropanecarboxylic acid ethyl ester
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H9NO2 |
| Molecular Weight | 139.06332 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 139.06332 Da |
| Heavy Atoms | 10 |
| Complexity | 197.0 |
| SMILES | CCOC(=O)C1(CC1)C#N |
| InChIKey | FDZLCIITHLSEQK-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 1-cyanocyclopropanecarboxylate
Property Insights of Ethyl 1-cyanocyclopropanecarboxylate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-cyanocyclopropanecarboxylate. With a topological polar surface area (TPSA) of 50.1 Ų, Ethyl 1-cyanocyclopropanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-cyanocyclopropanecarboxylate has 0 hydrogen bond donor(s) and 3 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 1-cyanocyclopropanecarboxylate?
The CAS number of Ethyl 1-cyanocyclopropanecarboxylate is 156408-68-3.
What is the molecular formula of Ethyl 1-cyanocyclopropanecarboxylate?
The molecular formula of Ethyl 1-cyanocyclopropanecarboxylate is C7H9NO2.
What is the molecular weight of Ethyl 1-cyanocyclopropanecarboxylate?
The molecular weight of Ethyl 1-cyanocyclopropanecarboxylate is 139.06332 g/mol.
Where can I buy Ethyl 1-cyanocyclopropanecarboxylate?
You can request a quote for Ethyl 1-cyanocyclopropanecarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 1-cyanocyclopropanecarboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 1-cyanocyclopropanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.