Methyl L-alpha-aspartyl-D-phenylalanate
TL;DR: Methyl L-alpha-aspartyl-D-phenylalanate (CAS 22839-65-2) 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.
(3S)-3-amino-4-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
Also Known As: aspartame, L,D-Aspartame, L-alpha-Aspartyl-D-phenylalanine methyl ester, Methyl L-alpha-aspartyl-D-phenylalanate, alpha-L-Aspartyl-D-phenylalanine methyl ester
| Molecular Formula | C14H18N2O5 |
|---|---|
| Molecular Weight | 294.12 g/mol |
| LogP | -0.3111 |
| Topological Polar Surface Area | 118.72 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 294.12158 |
| Heavy Atoms | 21 |
| Complexity | 503.34564 |
Chemical Identifiers
| CAS Number | 22839-65-2 |
|---|---|
| SMILES | COC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)N |
Product Overview
Methyl L-alpha-aspartyl-D-phenylalanate (CAS 22839-65-2), with molecular formula C14H18N2O5 and molecular weight 294.12 g/mol. IUPAC: (3S)-3-amino-4-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid.
Chemical Property Profile of Methyl L-alpha-aspartyl-D-phenylalanate
Property Insights of Methyl L-alpha-aspartyl-D-phenylalanate
The XLogP value of -0.3111 indicates that Methyl L-alpha-aspartyl-D-phenylalanate 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 Methyl L-alpha-aspartyl-D-phenylalanate. Following Lipinski's Rule of Five, Methyl L-alpha-aspartyl-D-phenylalanate 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 Methyl L-alpha-aspartyl-D-phenylalanate?
The CAS number of Methyl L-alpha-aspartyl-D-phenylalanate is 22839-65-2.
What is the molecular formula of Methyl L-alpha-aspartyl-D-phenylalanate?
The molecular formula of Methyl L-alpha-aspartyl-D-phenylalanate is C14H18N2O5.
What is the molecular weight of Methyl L-alpha-aspartyl-D-phenylalanate?
The molecular weight of Methyl L-alpha-aspartyl-D-phenylalanate is 294.12 g/mol.
Where can I buy Methyl L-alpha-aspartyl-D-phenylalanate?
You can request a quote for Methyl L-alpha-aspartyl-D-phenylalanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl L-alpha-aspartyl-D-phenylalanate?
Yes, KEHONG BIO provides custom synthesis services for Methyl L-alpha-aspartyl-D-phenylalanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.