Diethyl (3-dimethylaminopropyl)-malonate
TL;DR: Diethyl (3-dimethylaminopropyl)-malonate (CAS 43009-95-6) is a chemical compound with molecular formula C12H23NO4 and molecular weight 245.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[3-(dimethylamino)propyl]propanedioate
Also Known As: 2-(3-dimethylaminopropyl)diethyl malonate, DIETHYL (3-DIMETHYLAMINOPROPYL)-MALONATE, Diethyl 2-(3-dimethylaminopropyl)propanedioate, diethyl 2-[3-(dimethylamino)propyl]propanedioate, 654-222-3
| Molecular Formula | C12H23NO4 |
|---|---|
| Molecular Weight | 245.16 g/mol |
| LogP | 1.0706 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 245.1627 |
| Heavy Atoms | 17 |
| Complexity | 222.66013 |
Chemical Identifiers
| CAS Number | 43009-95-6 |
|---|---|
| SMILES | CCOC(=O)C(CCCN(C)C)C(=O)OCC |
Product Overview
Diethyl (3-dimethylaminopropyl)-malonate (CAS 43009-95-6), with molecular formula C12H23NO4 and molecular weight 245.16 g/mol. IUPAC: diethyl 2-[3-(dimethylamino)propyl]propanedioate.
Chemical Property Profile of Diethyl (3-dimethylaminopropyl)-malonate
Property Insights of Diethyl (3-dimethylaminopropyl)-malonate
The XLogP value of 1.0706 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (3-dimethylaminopropyl)-malonate. With a topological polar surface area (TPSA) of 55.84 Ų, Diethyl (3-dimethylaminopropyl)-malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl (3-dimethylaminopropyl)-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 (3-dimethylaminopropyl)-malonate?
The CAS number of Diethyl (3-dimethylaminopropyl)-malonate is 43009-95-6.
What is the molecular formula of Diethyl (3-dimethylaminopropyl)-malonate?
The molecular formula of Diethyl (3-dimethylaminopropyl)-malonate is C12H23NO4.
What is the molecular weight of Diethyl (3-dimethylaminopropyl)-malonate?
The molecular weight of Diethyl (3-dimethylaminopropyl)-malonate is 245.16 g/mol.
Where can I buy Diethyl (3-dimethylaminopropyl)-malonate?
You can request a quote for Diethyl (3-dimethylaminopropyl)-malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (3-dimethylaminopropyl)-malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (3-dimethylaminopropyl)-malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.