Ethyl 2-cyanononanoate
TL;DR: Ethyl 2-cyanononanoate (CAS 111712-16-4) is a chemical compound with molecular formula C12H21NO2 and molecular weight 211.15723 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-cyanononanoate
Also Known As: ethyl 2-cyanononanoate, 2-Cyanononanoic acid ethyl ester, Nonanoic acid, 2-cyano-, ethyl ester, Nonanoic acid,2-cyano-, ethyl ester, AG 2000
Technical Specifications
| Molecular Formula | C12H21NO2 |
| Molecular Weight | 211.15723 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 211.15723 Da |
| Heavy Atoms | 15 |
| Complexity | 217.0 |
| SMILES | CCCCCCCC(C#N)C(=O)OCC |
| InChIKey | RLFOJKJGCRFYMW-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-cyanononanoate
Property Insights of Ethyl 2-cyanononanoate
The XLogP value of 4.0 indicates that Ethyl 2-cyanononanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, Ethyl 2-cyanononanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-cyanononanoate 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 2-cyanononanoate?
The CAS number of Ethyl 2-cyanononanoate is 111712-16-4.
What is the molecular formula of Ethyl 2-cyanononanoate?
The molecular formula of Ethyl 2-cyanononanoate is C12H21NO2.
What is the molecular weight of Ethyl 2-cyanononanoate?
The molecular weight of Ethyl 2-cyanononanoate is 211.15723 g/mol.
Where can I buy Ethyl 2-cyanononanoate?
You can request a quote for Ethyl 2-cyanononanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-cyanononanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-cyanononanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.