阿斯巴甜
TL;DR: 阿斯巴甜 (CAS 22839-47-0) is a chemical compound with molecular formula C14H18N2O5 and molecular weight 294.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿斯巴甜
3-amino-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid
Also Known As: aspartame, Nutrasweet, Sweet dipeptide, Canderel, Aspartame-d3
| Molecular Formula | C14H18N2O5 |
|---|---|
| Molecular Weight | 294.12 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 294.12158 |
| Heavy Atoms | 21 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 22839-47-0 |
|---|---|
| SMILES | COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N |
| InChIKey | IAOZJIPTCAWIRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿斯巴甜 (CAS 22839-47-0), with molecular formula C14H18N2O5 and molecular weight 294.12 g/mol. IUPAC: 3-amino-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid.
Chemical Property Profile of 阿斯巴甜
Property Insights of 阿斯巴甜
The XLogP value of -2.7 indicates that 阿斯巴甜 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 阿斯巴甜. Following Lipinski's Rule of Five, 阿斯巴甜 has 3 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 阿斯巴甜?
The CAS number of 阿斯巴甜 is 22839-47-0.
What is the molecular formula of 阿斯巴甜?
The molecular formula of 阿斯巴甜 is C14H18N2O5.
What is the molecular weight of 阿斯巴甜?
The molecular weight of 阿斯巴甜 is 294.12 g/mol.
Where can I buy 阿斯巴甜?
You can request a quote for 阿斯巴甜 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿斯巴甜?
Yes, KEHONG BIO provides custom synthesis services for 阿斯巴甜 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.