Diethyl (2-diethylaminoethyl)-malonate
TL;DR: Diethyl (2-diethylaminoethyl)-malonate (CAS 1558-94-7) is a chemical compound with molecular formula C13H25NO4 and molecular weight 259.17834 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 2-[2-(diethylamino)ethyl]propanedioate
Also Known As: Diethyl 2-(2-diethylaminoethyl)propanedioate, DIETHYL (2-DIETHYLAMINOETHYL)-MALONATE
Technical Specifications
| Molecular Formula | C13H25NO4 |
| Molecular Weight | 259.17834 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 259.17834 Da |
| Heavy Atoms | 18 |
| Complexity | 233.0 |
| SMILES | CCN(CC)CCC(C(=O)OCC)C(=O)OCC |
| InChIKey | VUWCENLYPTYEFB-UHFFFAOYSA-N |
Chemical Property Profile of Diethyl (2-diethylaminoethyl)-malonate
Property Insights of Diethyl (2-diethylaminoethyl)-malonate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (2-diethylaminoethyl)-malonate. With a topological polar surface area (TPSA) of 55.8 Ų, Diethyl (2-diethylaminoethyl)-malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl (2-diethylaminoethyl)-malonate 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
What is the CAS number of Diethyl (2-diethylaminoethyl)-malonate?
The CAS number of Diethyl (2-diethylaminoethyl)-malonate is 1558-94-7.
What is the molecular formula of Diethyl (2-diethylaminoethyl)-malonate?
The molecular formula of Diethyl (2-diethylaminoethyl)-malonate is C13H25NO4.
What is the molecular weight of Diethyl (2-diethylaminoethyl)-malonate?
The molecular weight of Diethyl (2-diethylaminoethyl)-malonate is 259.17834 g/mol.
Where can I buy Diethyl (2-diethylaminoethyl)-malonate?
You can request a quote for Diethyl (2-diethylaminoethyl)-malonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl (2-diethylaminoethyl)-malonate?
Yes, CoreyChem provides custom synthesis services for Diethyl (2-diethylaminoethyl)-malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.