Diethyl (2-dimethylaminoethyl)-malonate
TL;DR: Diethyl (2-dimethylaminoethyl)-malonate (CAS 5429-29-8) is a chemical compound with molecular formula C11H21NO4 and molecular weight 231.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[2-(dimethylamino)ethyl]propanedioate
Also Known As: diethyl[2-(dimethylamino)ethyl]propanedioate, DIETHYL (2-DIMETHYLAMINOETHYL)-MALONATE, Diethyl 2-(2-(dimethylamino)ethyl)malonate, Diethyl [2-(dimethylamino)ethyl]propanedioate, diethyl 2-(2-dimethylaminoethyl)propanedioate
| Molecular Formula | C11H21NO4 |
|---|---|
| Molecular Weight | 231.15 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 231.14706 |
| Heavy Atoms | 16 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 5429-29-8 |
|---|---|
| SMILES | CCOC(=O)C(CCN(C)C)C(=O)OCC |
| InChIKey | XTTIXKIEKDPSIJ-UHFFFAOYSA-N |
Product Overview
Diethyl (2-dimethylaminoethyl)-malonate (CAS 5429-29-8), with molecular formula C11H21NO4 and molecular weight 231.15 g/mol. IUPAC: diethyl 2-[2-(dimethylamino)ethyl]propanedioate.
Chemical Property Profile of Diethyl (2-dimethylaminoethyl)-malonate
Property Insights of Diethyl (2-dimethylaminoethyl)-malonate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (2-dimethylaminoethyl)-malonate. With a topological polar surface area (TPSA) of 55.8 Ų, Diethyl (2-dimethylaminoethyl)-malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl (2-dimethylaminoethyl)-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
Frequently Asked Questions
What is the CAS number of Diethyl (2-dimethylaminoethyl)-malonate?
The CAS number of Diethyl (2-dimethylaminoethyl)-malonate is 5429-29-8.
What is the molecular formula of Diethyl (2-dimethylaminoethyl)-malonate?
The molecular formula of Diethyl (2-dimethylaminoethyl)-malonate is C11H21NO4.
What is the molecular weight of Diethyl (2-dimethylaminoethyl)-malonate?
The molecular weight of Diethyl (2-dimethylaminoethyl)-malonate is 231.15 g/mol.
Where can I buy Diethyl (2-dimethylaminoethyl)-malonate?
You can request a quote for Diethyl (2-dimethylaminoethyl)-malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (2-dimethylaminoethyl)-malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (2-dimethylaminoethyl)-malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.