Diethyl 2-(benzyl(methyl)amino)malonate
TL;DR: Diethyl 2-(benzyl(methyl)amino)malonate (CAS 1032-02-6) is a chemical compound with molecular formula C15H21NO4 and molecular weight 279.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[benzyl(methyl)amino]propanedioate
Also Known As: DIETHYL 2-(BENZYL(METHYL)AMINO)MALONATE, Diethyl 2-[benzyl(methyl)amino]malonate, diethyl 2-(benzyl(methyl)amino)propanedioate, diethyl[benzyl(methyl)amino]propanedioate, diethyl [benzyl(methyl)amino]propanedioate
| Molecular Formula | C15H21NO4 |
|---|---|
| Molecular Weight | 279.15 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 279.14706 |
| Heavy Atoms | 20 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 1032-02-6 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)N(C)CC1=CC=CC=C1 |
| InChIKey | LWBMGARUGFGZOR-UHFFFAOYSA-N |
Product Overview
Diethyl 2-(benzyl(methyl)amino)malonate (CAS 1032-02-6), with molecular formula C15H21NO4 and molecular weight 279.15 g/mol. IUPAC: diethyl 2-[benzyl(methyl)amino]propanedioate.
Chemical Property Profile of Diethyl 2-(benzyl(methyl)amino)malonate
Property Insights of Diethyl 2-(benzyl(methyl)amino)malonate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(benzyl(methyl)amino)malonate. With a topological polar surface area (TPSA) of 55.8 Ų, Diethyl 2-(benzyl(methyl)amino)malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2-(benzyl(methyl)amino)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-(benzyl(methyl)amino)malonate?
The CAS number of Diethyl 2-(benzyl(methyl)amino)malonate is 1032-02-6.
What is the molecular formula of Diethyl 2-(benzyl(methyl)amino)malonate?
The molecular formula of Diethyl 2-(benzyl(methyl)amino)malonate is C15H21NO4.
What is the molecular weight of Diethyl 2-(benzyl(methyl)amino)malonate?
The molecular weight of Diethyl 2-(benzyl(methyl)amino)malonate is 279.15 g/mol.
Where can I buy Diethyl 2-(benzyl(methyl)amino)malonate?
You can request a quote for Diethyl 2-(benzyl(methyl)amino)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-(benzyl(methyl)amino)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(benzyl(methyl)amino)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.