Acetylphenylalanine methyl ester
TL;DR: Acetylphenylalanine methyl ester (CAS 36422-63-6) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-acetamido-3-phenylpropanoate
Also Known As: Methyl N-acetyl-L-phenylalaninate, Acetyl-Phe-OMe, N-Acetyl-L-phenylalanine methyl ester, N-AC-L-Phe-Ome, Acetylphenylalanine methyl ester
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 36422-63-6 |
|---|---|
| SMILES | CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC |
| InChIKey | IKGHIFGXPVLPFD-NSHDSACASA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetylphenylalanine methyl ester (CAS 36422-63-6), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: methyl (2S)-2-acetamido-3-phenylpropanoate.
Chemical Property Profile of Acetylphenylalanine methyl ester
Property Insights of Acetylphenylalanine methyl ester
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetylphenylalanine methyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, Acetylphenylalanine methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetylphenylalanine methyl ester has 1 hydrogen bond donor(s) and 3 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 Acetylphenylalanine methyl ester?
The CAS number of Acetylphenylalanine methyl ester is 36422-63-6.
What is the molecular formula of Acetylphenylalanine methyl ester?
The molecular formula of Acetylphenylalanine methyl ester is C12H15NO3.
What is the molecular weight of Acetylphenylalanine methyl ester?
The molecular weight of Acetylphenylalanine methyl ester is 221.11 g/mol.
Where can I buy Acetylphenylalanine methyl ester?
You can request a quote for Acetylphenylalanine methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylphenylalanine methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetylphenylalanine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.