Diethyl acetamido(2-oxo-2-phenylethyl)propanedioate
TL;DR: Diethyl acetamido(2-oxo-2-phenylethyl)propanedioate (CAS 18228-78-9) is a chemical compound with molecular formula C17H21NO6 and molecular weight 335.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-acetamido-2-phenacylpropanedioate
Also Known As: diethyl 2-acetamido-2-phenacylpropanedioate, Acetylamino-phenacyl-malonsaeure-diaethylester, DIETHYL 2-ACETAMIDO-2-(BENZOYLMETHYL)-MALONATE, Diethyl acetamido(2-oxo-2-phenylethyl)propanedioate, J1.717.945D
| Molecular Formula | C17H21NO6 |
|---|---|
| Molecular Weight | 335.14 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 98.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 335.1369 |
| Heavy Atoms | 24 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 18228-78-9 |
|---|---|
| SMILES | CCOC(=O)C(CC(=O)C1=CC=CC=C1)(C(=O)OCC)NC(=O)C |
| InChIKey | VHRKWOLYJLHEFT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl acetamido(2-oxo-2-phenylethyl)propanedioate (CAS 18228-78-9), with molecular formula C17H21NO6 and molecular weight 335.14 g/mol. IUPAC: diethyl 2-acetamido-2-phenacylpropanedioate.
Chemical Property Profile of Diethyl acetamido(2-oxo-2-phenylethyl)propanedioate
Property Insights of Diethyl acetamido(2-oxo-2-phenylethyl)propanedioate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl acetamido(2-oxo-2-phenylethyl)propanedioate. The TPSA of 98.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl acetamido(2-oxo-2-phenylethyl)propanedioate. Following Lipinski's Rule of Five, Diethyl acetamido(2-oxo-2-phenylethyl)propanedioate has 1 hydrogen bond donor(s) and 6 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 acetamido(2-oxo-2-phenylethyl)propanedioate?
The CAS number of Diethyl acetamido(2-oxo-2-phenylethyl)propanedioate is 18228-78-9.
What is the molecular formula of Diethyl acetamido(2-oxo-2-phenylethyl)propanedioate?
The molecular formula of Diethyl acetamido(2-oxo-2-phenylethyl)propanedioate is C17H21NO6.
What is the molecular weight of Diethyl acetamido(2-oxo-2-phenylethyl)propanedioate?
The molecular weight of Diethyl acetamido(2-oxo-2-phenylethyl)propanedioate is 335.14 g/mol.
Where can I buy Diethyl acetamido(2-oxo-2-phenylethyl)propanedioate?
You can request a quote for Diethyl acetamido(2-oxo-2-phenylethyl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl acetamido(2-oxo-2-phenylethyl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl acetamido(2-oxo-2-phenylethyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.