Hexanoic acid, 2-cyano-5-oxo-, ethyl ester
TL;DR: Hexanoic acid, 2-cyano-5-oxo-, ethyl ester (CAS 136634-45-2) is a chemical compound with molecular formula C9H13NO3 and molecular weight 183.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-cyano-5-oxohexanoate
Also Known As: ethyl 2-cyano-5-oxohexanoate, Hexanoic acid, 2-cyano-5-oxo-, ethyl ester, 2-Cyano-5-oxohexanoic acid ethyl ester, Hexanoic acid,2-cyano-5-oxo-,ethyl ester, J2.195.726G
Technical Specifications
| Molecular Formula | C9H13NO3 |
| Molecular Weight | 183.08954 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 67.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 183.08954 Da |
| Heavy Atoms | 13 |
| Complexity | 238.0 |
| SMILES | CCOC(=O)C(CCC(=O)C)C#N |
| InChIKey | ZZYYNRFVXZVLOY-UHFFFAOYSA-N |
Chemical Property Profile of Hexanoic acid, 2-cyano-5-oxo-, ethyl ester
Property Insights of Hexanoic acid, 2-cyano-5-oxo-, ethyl ester
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexanoic acid, 2-cyano-5-oxo-, ethyl ester. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexanoic acid, 2-cyano-5-oxo-, ethyl ester. Following Lipinski's Rule of Five, Hexanoic acid, 2-cyano-5-oxo-, ethyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Hexanoic acid, 2-cyano-5-oxo-, ethyl ester?
The CAS number of Hexanoic acid, 2-cyano-5-oxo-, ethyl ester is 136634-45-2.
What is the molecular formula of Hexanoic acid, 2-cyano-5-oxo-, ethyl ester?
The molecular formula of Hexanoic acid, 2-cyano-5-oxo-, ethyl ester is C9H13NO3.
What is the molecular weight of Hexanoic acid, 2-cyano-5-oxo-, ethyl ester?
The molecular weight of Hexanoic acid, 2-cyano-5-oxo-, ethyl ester is 183.08954 g/mol.
Where can I buy Hexanoic acid, 2-cyano-5-oxo-, ethyl ester?
You can request a quote for Hexanoic acid, 2-cyano-5-oxo-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexanoic acid, 2-cyano-5-oxo-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Hexanoic acid, 2-cyano-5-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.