1-Ethyl aspartate
TL;DR: 1-Ethyl aspartate (CAS 7361-28-6) is a chemical compound with molecular formula C6H11NO4 and molecular weight 161.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-amino-4-ethoxy-4-oxobutanoic acid
Also Known As: (S)-3-Amino-4-ethoxy-4-oxobutanoic acid, 1-Ethyl aspartate, 1-Ethyl L-aspartate, H-Asp-OEt, L-Aspartic acid ethyl ester
| Molecular Formula | C6H11NO4 |
|---|---|
| Molecular Weight | 161.07 g/mol |
| LogP | -3.2 |
| Topological Polar Surface Area | 89.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 161.0688 |
| Heavy Atoms | 11 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 7361-28-6 |
|---|---|
| SMILES | CCOC(=O)[C@H](CC(=O)O)N |
| InChIKey | WXFCDLWCQIARFW-BYPYZUCNSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Ethyl aspartate (CAS 7361-28-6), with molecular formula C6H11NO4 and molecular weight 161.07 g/mol. IUPAC: (3S)-3-amino-4-ethoxy-4-oxobutanoic acid.
Chemical Property Profile of 1-Ethyl aspartate
Property Insights of 1-Ethyl aspartate
The XLogP value of -3.2 indicates that 1-Ethyl aspartate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Ethyl aspartate. Following Lipinski's Rule of Five, 1-Ethyl aspartate has 2 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 1-Ethyl aspartate?
The CAS number of 1-Ethyl aspartate is 7361-28-6.
What is the molecular formula of 1-Ethyl aspartate?
The molecular formula of 1-Ethyl aspartate is C6H11NO4.
What is the molecular weight of 1-Ethyl aspartate?
The molecular weight of 1-Ethyl aspartate is 161.07 g/mol.
Where can I buy 1-Ethyl aspartate?
You can request a quote for 1-Ethyl aspartate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl aspartate?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl aspartate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.