Ethyl 2-cyano-4,4-diethoxybutyrate
TL;DR: Ethyl 2-cyano-4,4-diethoxybutyrate (CAS 52133-67-2) is a chemical compound with molecular formula C11H19NO4 and molecular weight 229.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-4,4-diethoxybutanoate
Also Known As: Ethyl 2-cyano-4,4-diethoxybutyrate, ethyl 2-cyano-4,4-diethoxybutanoate, Ethyl 2,2-diethoxyethylcyanoacetate, zlchem 173, Ethyl-2,2-diethoxythylcyanoacetate
| Molecular Formula | C11H19NO4 |
|---|---|
| Molecular Weight | 229.13 g/mol |
| LogP | 1.47848 |
| Topological Polar Surface Area | 68.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 229.13141 |
| Heavy Atoms | 16 |
| Complexity | 230.62929 |
Chemical Identifiers
| CAS Number | 52133-67-2 |
|---|---|
| SMILES | CCOC(CC(C#N)C(=O)OCC)OCC |
Product Overview
Ethyl 2-cyano-4,4-diethoxybutyrate (CAS 52133-67-2), with molecular formula C11H19NO4 and molecular weight 229.13 g/mol. IUPAC: ethyl 2-cyano-4,4-diethoxybutanoate.
Chemical Property Profile of Ethyl 2-cyano-4,4-diethoxybutyrate
Property Insights of Ethyl 2-cyano-4,4-diethoxybutyrate
The XLogP value of 1.47848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-4,4-diethoxybutyrate. The TPSA of 68.55 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-cyano-4,4-diethoxybutyrate. Following Lipinski's Rule of Five, Ethyl 2-cyano-4,4-diethoxybutyrate 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
Frequently Asked Questions
What is the CAS number of Ethyl 2-cyano-4,4-diethoxybutyrate?
The CAS number of Ethyl 2-cyano-4,4-diethoxybutyrate is 52133-67-2.
What is the molecular formula of Ethyl 2-cyano-4,4-diethoxybutyrate?
The molecular formula of Ethyl 2-cyano-4,4-diethoxybutyrate is C11H19NO4.
What is the molecular weight of Ethyl 2-cyano-4,4-diethoxybutyrate?
The molecular weight of Ethyl 2-cyano-4,4-diethoxybutyrate is 229.13 g/mol.
Where can I buy Ethyl 2-cyano-4,4-diethoxybutyrate?
You can request a quote for Ethyl 2-cyano-4,4-diethoxybutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-cyano-4,4-diethoxybutyrate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-4,4-diethoxybutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.