Diethyl beta-oxobenzyliminodipropionate
TL;DR: Diethyl beta-oxobenzyliminodipropionate (CAS 182559-62-2) is a chemical compound with molecular formula C17H23NO5 and molecular weight 321.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[benzyl-(3-ethoxy-3-oxopropyl)amino]-3-oxopropanoate
Also Known As: DIETHYL BETA-OXOBENZYLIMINODIPROPIONATE, Ethyl 2-(benzyl-(2-ethoxycarbonylethyl)carbamoyl)acetate, ethyl 3-(benzyl(3-ethoxy-3-oxopropyl)amino)-3-oxopropanoate, ethyl 3-[benzyl-(3-ethoxy-3-oxopropyl)amino]-3-oxopropanoate, N-benzyl-N-(2-ethoxycarbonyl-ethyl)-malonamic acid ethyl ester
| Molecular Formula | C17H23NO5 |
|---|---|
| Molecular Weight | 321.16 g/mol |
| LogP | 1.9216 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 321.15762 |
| Heavy Atoms | 23 |
| Complexity | 514.97485 |
Chemical Identifiers
| CAS Number | 182559-62-2 |
|---|---|
| SMILES | CCOC(=O)CCN(CC1=CC=CC=C1)C(=O)CC(=O)OCC |
Product Overview
Diethyl beta-oxobenzyliminodipropionate (CAS 182559-62-2), with molecular formula C17H23NO5 and molecular weight 321.16 g/mol. IUPAC: ethyl 3-[benzyl-(3-ethoxy-3-oxopropyl)amino]-3-oxopropanoate.
Chemical Property Profile of Diethyl beta-oxobenzyliminodipropionate
Property Insights of Diethyl beta-oxobenzyliminodipropionate
The XLogP value of 1.9216 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl beta-oxobenzyliminodipropionate. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl beta-oxobenzyliminodipropionate. Following Lipinski's Rule of Five, Diethyl beta-oxobenzyliminodipropionate 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 beta-oxobenzyliminodipropionate?
The CAS number of Diethyl beta-oxobenzyliminodipropionate is 182559-62-2.
What is the molecular formula of Diethyl beta-oxobenzyliminodipropionate?
The molecular formula of Diethyl beta-oxobenzyliminodipropionate is C17H23NO5.
What is the molecular weight of Diethyl beta-oxobenzyliminodipropionate?
The molecular weight of Diethyl beta-oxobenzyliminodipropionate is 321.16 g/mol.
Where can I buy Diethyl beta-oxobenzyliminodipropionate?
You can request a quote for Diethyl beta-oxobenzyliminodipropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl beta-oxobenzyliminodipropionate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl beta-oxobenzyliminodipropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.