Ethyl beta-aspartylglycinate
TL;DR: Ethyl beta-aspartylglycinate (CAS 5058-63-9) is a chemical compound with molecular formula C8H14N2O5 and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid
Also Known As: Ethyl beta-aspartylglycinate, 2-amino-3-(ethoxycarbonylmethylcarbamoyl)propanoic Acid, 2-amino-4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid
| Molecular Formula | C8H14N2O5 |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | -1.5323 |
| Topological Polar Surface Area | 118.72 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 218.09027 |
| Heavy Atoms | 15 |
| Complexity | 253.41658 |
Chemical Identifiers
| CAS Number | 5058-63-9 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)CC(C(=O)O)N |
Product Overview
Ethyl beta-aspartylglycinate (CAS 5058-63-9), with molecular formula C8H14N2O5 and molecular weight 218.09 g/mol. IUPAC: 2-amino-4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid.
Chemical Property Profile of Ethyl beta-aspartylglycinate
Property Insights of Ethyl beta-aspartylglycinate
The XLogP value of -1.5323 indicates that Ethyl beta-aspartylglycinate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 118.72 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl beta-aspartylglycinate. Following Lipinski's Rule of Five, Ethyl beta-aspartylglycinate has 3 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 Ethyl beta-aspartylglycinate?
The CAS number of Ethyl beta-aspartylglycinate is 5058-63-9.
What is the molecular formula of Ethyl beta-aspartylglycinate?
The molecular formula of Ethyl beta-aspartylglycinate is C8H14N2O5.
What is the molecular weight of Ethyl beta-aspartylglycinate?
The molecular weight of Ethyl beta-aspartylglycinate is 218.09 g/mol.
Where can I buy Ethyl beta-aspartylglycinate?
You can request a quote for Ethyl beta-aspartylglycinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl beta-aspartylglycinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl beta-aspartylglycinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.