Diethyl 2-acetamido-3-oxohexanedioate
TL;DR: Diethyl 2-acetamido-3-oxohexanedioate (CAS 839724-53-7) 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-3-oxohexanedioate
Also Known As: NCIOpen2_004023, diethyl 2-acetamido-3-oxohexanedioate, diethyl 2-acetylamino-3-oxohexanedioate, diethyl 2-(acetylamino)-3-oxohexanedioate, Aminolevulinic Acid Hydrochloride Impurity 11
| Molecular Formula | C12H19NO6 |
|---|---|
| Molecular Weight | 273.12 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 98.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 273.12125 |
| Heavy Atoms | 19 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 839724-53-7 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)C(C(=O)OCC)NC(=O)C |
| InChIKey | ZKEYPDVNEZHDAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-acetamido-3-oxohexanedioate (CAS 839724-53-7), with molecular formula C12H19NO6 and molecular weight 273.12 g/mol. IUPAC: diethyl 2-acetamido-3-oxohexanedioate.
Chemical Property Profile of Diethyl 2-acetamido-3-oxohexanedioate
Property Insights of Diethyl 2-acetamido-3-oxohexanedioate
The XLogP value of -0.1 indicates that Diethyl 2-acetamido-3-oxohexanedioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-acetamido-3-oxohexanedioate. Following Lipinski's Rule of Five, Diethyl 2-acetamido-3-oxohexanedioate 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-3-oxohexanedioate?
The CAS number of Diethyl 2-acetamido-3-oxohexanedioate is 839724-53-7.
What is the molecular formula of Diethyl 2-acetamido-3-oxohexanedioate?
The molecular formula of Diethyl 2-acetamido-3-oxohexanedioate is C12H19NO6.
What is the molecular weight of Diethyl 2-acetamido-3-oxohexanedioate?
The molecular weight of Diethyl 2-acetamido-3-oxohexanedioate is 273.12 g/mol.
Where can I buy Diethyl 2-acetamido-3-oxohexanedioate?
You can request a quote for Diethyl 2-acetamido-3-oxohexanedioate 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-3-oxohexanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-acetamido-3-oxohexanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.