Ethyl 2-cyano-4-methylpentanoate
TL;DR: Ethyl 2-cyano-4-methylpentanoate (CAS 107452-10-8) is a chemical compound with molecular formula C9H15NO2 and molecular weight 169.11028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-cyano-4-methylpentanoate
Also Known As: Ethyl 2-cyano-4-methylpentanoate, Valeric acid, ethyl ester, methyl2-amino-5-cyanobenzoate, ethyl 4-methyl-2-cyanopentanoate, ETHYL 2-CYANO-4-METHYLVALERATE
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H15NO2 |
| Molecular Weight | 169.11028 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 169.11028 Da |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
| SMILES | CCOC(=O)C(CC(C)C)C#N |
| InChIKey | XOHIDSSTBKHCPY-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-cyano-4-methylpentanoate
Property Insights of Ethyl 2-cyano-4-methylpentanoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-4-methylpentanoate. With a topological polar surface area (TPSA) of 50.1 Ų, Ethyl 2-cyano-4-methylpentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-cyano-4-methylpentanoate 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-cyano-4-methylpentanoate?
The CAS number of Ethyl 2-cyano-4-methylpentanoate is 107452-10-8.
What is the molecular formula of Ethyl 2-cyano-4-methylpentanoate?
The molecular formula of Ethyl 2-cyano-4-methylpentanoate is C9H15NO2.
What is the molecular weight of Ethyl 2-cyano-4-methylpentanoate?
The molecular weight of Ethyl 2-cyano-4-methylpentanoate is 169.11028 g/mol.
Where can I buy Ethyl 2-cyano-4-methylpentanoate?
You can request a quote for Ethyl 2-cyano-4-methylpentanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-cyano-4-methylpentanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-cyano-4-methylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.