Betaine aspartate
TL;DR: Betaine aspartate (CAS 52921-08-1) is a chemical compound with molecular formula C9H18N2O6 and molecular weight 250.11649 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-amino-4-hydroxy-4-oxobutanoate;carboxymethyl(trimethyl)azanium
Also Known As: Betaine aspartate, betaine, Somathl (TN), sodium 7-sulfonaphthalene-2-sulfonate, (2S)-2-amino-4-hydroxy-4-oxobutanoate;carboxymethyl(trimethyl)azanium
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H18N2O6 |
| Molecular Weight | 250.11649 g/mol |
| XLogP | -2.68 |
| Topological Polar Surface Area (TPSA) | 141.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.11649 Da |
| Heavy Atoms | 17 |
| Complexity | 220.0 |
| SMILES | C[N+](C)(C)CC(=O)O.C([C@@H](C(=O)[O-])N)C(=O)O |
| InChIKey | GROIBJFMWIHJHX-WNQIDUERSA-N |
Chemical Property Profile of Betaine aspartate
Property Insights of Betaine aspartate
The XLogP value of -2.68 indicates that Betaine aspartate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 141.0 Ų indicates high polarity, suggesting Betaine aspartate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Betaine aspartate has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Betaine aspartate?
The CAS number of Betaine aspartate is 52921-08-1.
What is the molecular formula of Betaine aspartate?
The molecular formula of Betaine aspartate is C9H18N2O6.
What is the molecular weight of Betaine aspartate?
The molecular weight of Betaine aspartate is 250.11649 g/mol.
Where can I buy Betaine aspartate?
You can request a quote for Betaine aspartate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Betaine aspartate?
Yes, CoreyChem provides custom synthesis services for Betaine aspartate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.