Ethyl 2-(2-(diethylamino)ethyl)acetoacetate
TL;DR: Ethyl 2-(2-(diethylamino)ethyl)acetoacetate (CAS 23999-02-2) is a chemical compound with molecular formula C12H23NO3 and molecular weight 229.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(diethylamino)ethyl]-3-oxobutanoate
Also Known As: Ethyl 2-(2-(diethylamino)ethyl)acetoacetate, ETHYL 2-[2-(DIETHYLAMINO)ETHYL]-3-OXOBUTANOATE, Ethyl 2-[2-(diethylamino)ethyl]acetoacetate, ethyl 2-(2-diethylaminoethyl)acetoacetate, Ethyl 2-acetyl-4-(diethylamino)butanoate
| Molecular Formula | C12H23NO3 |
|---|---|
| Molecular Weight | 229.17 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 229.1678 |
| Heavy Atoms | 16 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 23999-02-2 |
|---|---|
| SMILES | CCN(CC)CCC(C(=O)C)C(=O)OCC |
| InChIKey | ZQQHBSPNJHQAKU-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(2-(diethylamino)ethyl)acetoacetate (CAS 23999-02-2), with molecular formula C12H23NO3 and molecular weight 229.17 g/mol. IUPAC: ethyl 2-[2-(diethylamino)ethyl]-3-oxobutanoate.
Chemical Property Profile of Ethyl 2-(2-(diethylamino)ethyl)acetoacetate
Property Insights of Ethyl 2-(2-(diethylamino)ethyl)acetoacetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(2-(diethylamino)ethyl)acetoacetate. With a topological polar surface area (TPSA) of 46.6 Ų, Ethyl 2-(2-(diethylamino)ethyl)acetoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(2-(diethylamino)ethyl)acetoacetate 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
Frequently Asked Questions
What is the CAS number of Ethyl 2-(2-(diethylamino)ethyl)acetoacetate?
The CAS number of Ethyl 2-(2-(diethylamino)ethyl)acetoacetate is 23999-02-2.
What is the molecular formula of Ethyl 2-(2-(diethylamino)ethyl)acetoacetate?
The molecular formula of Ethyl 2-(2-(diethylamino)ethyl)acetoacetate is C12H23NO3.
What is the molecular weight of Ethyl 2-(2-(diethylamino)ethyl)acetoacetate?
The molecular weight of Ethyl 2-(2-(diethylamino)ethyl)acetoacetate is 229.17 g/mol.
Where can I buy Ethyl 2-(2-(diethylamino)ethyl)acetoacetate?
You can request a quote for Ethyl 2-(2-(diethylamino)ethyl)acetoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(2-(diethylamino)ethyl)acetoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2-(diethylamino)ethyl)acetoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.