Diethyl 2-acetamido-2-(3-oxopropyl)propanedioate
TL;DR: Diethyl 2-acetamido-2-(3-oxopropyl)propanedioate (CAS 53908-65-9) is a chemical compound with molecular formula C12H19NO6 and molecular weight 273.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-acetamido-2-(3-oxopropyl)propanedioate
Also Known As: malonicaciddiethylester, Diethyl 2-Acetamido-2-(2-formylethyl) Malonate, Diethyl 2-acetamido-2-(3-oxopropyl)propanedioate, Diethyl 2-acetamido-2-(3-oxopropyl)malonate, 4-acetamido-4,4-bis(ethoxycarbonyl)butanal
| Molecular Formula | C12H19NO6 |
|---|---|
| Molecular Weight | 273.12 g/mol |
| LogP | -0.0334 |
| Topological Polar Surface Area | 98.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 273.12125 |
| Heavy Atoms | 19 |
| Complexity | 334.12878 |
Chemical Identifiers
| CAS Number | 53908-65-9 |
|---|---|
| SMILES | CCOC(=O)C(CCC=O)(C(=O)OCC)NC(=O)C |
Product Overview
Diethyl 2-acetamido-2-(3-oxopropyl)propanedioate (CAS 53908-65-9), with molecular formula C12H19NO6 and molecular weight 273.12 g/mol. IUPAC: diethyl 2-acetamido-2-(3-oxopropyl)propanedioate.
Chemical Property Profile of Diethyl 2-acetamido-2-(3-oxopropyl)propanedioate
Property Insights of Diethyl 2-acetamido-2-(3-oxopropyl)propanedioate
The XLogP value of -0.0334 indicates that Diethyl 2-acetamido-2-(3-oxopropyl)propanedioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-acetamido-2-(3-oxopropyl)propanedioate. Following Lipinski's Rule of Five, Diethyl 2-acetamido-2-(3-oxopropyl)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 2-acetamido-2-(3-oxopropyl)propanedioate?
The CAS number of Diethyl 2-acetamido-2-(3-oxopropyl)propanedioate is 53908-65-9.
What is the molecular formula of Diethyl 2-acetamido-2-(3-oxopropyl)propanedioate?
The molecular formula of Diethyl 2-acetamido-2-(3-oxopropyl)propanedioate is C12H19NO6.
What is the molecular weight of Diethyl 2-acetamido-2-(3-oxopropyl)propanedioate?
The molecular weight of Diethyl 2-acetamido-2-(3-oxopropyl)propanedioate is 273.12 g/mol.
Where can I buy Diethyl 2-acetamido-2-(3-oxopropyl)propanedioate?
You can request a quote for Diethyl 2-acetamido-2-(3-oxopropyl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-acetamido-2-(3-oxopropyl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-acetamido-2-(3-oxopropyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.