2-Aminoethyl acetoacetate
TL;DR: 2-Aminoethyl acetoacetate (CAS 85392-54-7) is a chemical compound with molecular formula C6H11NO3 and molecular weight 145.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminoethyl 3-oxobutanoate
Also Known As: 2-Aminoethyl acetoacetate, 2-aminoethyl 3-oxobutanoate, 2-Amino-acetessigester, EINECS 286-914-2, 3-Oxobutanoic acid 2-aminoethyl ester
| Molecular Formula | C6H11NO3 |
|---|---|
| Molecular Weight | 145.07 g/mol |
| LogP | -0.5326 |
| Topological Polar Surface Area | 69.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 145.0739 |
| Heavy Atoms | 10 |
| Complexity | 132.95462 |
Chemical Identifiers
| CAS Number | 85392-54-7 |
|---|---|
| SMILES | CC(=O)CC(=O)OCCN |
Product Overview
2-Aminoethyl acetoacetate (CAS 85392-54-7), with molecular formula C6H11NO3 and molecular weight 145.07 g/mol. IUPAC: 2-aminoethyl 3-oxobutanoate.
Chemical Property Profile of 2-Aminoethyl acetoacetate
Property Insights of 2-Aminoethyl acetoacetate
The XLogP value of -0.5326 indicates that 2-Aminoethyl acetoacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Aminoethyl acetoacetate. Following Lipinski's Rule of Five, 2-Aminoethyl acetoacetate has 1 hydrogen bond donor(s) and 4 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 2-Aminoethyl acetoacetate?
The CAS number of 2-Aminoethyl acetoacetate is 85392-54-7.
What is the molecular formula of 2-Aminoethyl acetoacetate?
The molecular formula of 2-Aminoethyl acetoacetate is C6H11NO3.
What is the molecular weight of 2-Aminoethyl acetoacetate?
The molecular weight of 2-Aminoethyl acetoacetate is 145.07 g/mol.
Where can I buy 2-Aminoethyl acetoacetate?
You can request a quote for 2-Aminoethyl acetoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Aminoethyl acetoacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Aminoethyl acetoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.