Methyl N-acetyl-DL-phenylalaninate
TL;DR: Methyl N-acetyl-DL-phenylalaninate (CAS 3618-96-0) 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 2-acetamido-3-phenylpropanoate
Also Known As: Methyl N-acetyl-DL-phenylalaninate, Maybridge3_005305, methyl 2-acetamido-3-phenylpropanoate, methyl n-acetylphenylalaninate, Methyl N-acetyl-L-phenylalaninate
| 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 | 3618-96-0 |
|---|---|
| SMILES | CC(=O)NC(CC1=CC=CC=C1)C(=O)OC |
| InChIKey | IKGHIFGXPVLPFD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl N-acetyl-DL-phenylalaninate (CAS 3618-96-0), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: methyl 2-acetamido-3-phenylpropanoate.
Chemical Property Profile of Methyl N-acetyl-DL-phenylalaninate
Property Insights of Methyl N-acetyl-DL-phenylalaninate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl N-acetyl-DL-phenylalaninate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl N-acetyl-DL-phenylalaninate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl N-acetyl-DL-phenylalaninate 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 Methyl N-acetyl-DL-phenylalaninate?
The CAS number of Methyl N-acetyl-DL-phenylalaninate is 3618-96-0.
What is the molecular formula of Methyl N-acetyl-DL-phenylalaninate?
The molecular formula of Methyl N-acetyl-DL-phenylalaninate is C12H15NO3.
What is the molecular weight of Methyl N-acetyl-DL-phenylalaninate?
The molecular weight of Methyl N-acetyl-DL-phenylalaninate is 221.11 g/mol.
Where can I buy Methyl N-acetyl-DL-phenylalaninate?
You can request a quote for Methyl N-acetyl-DL-phenylalaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N-acetyl-DL-phenylalaninate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-acetyl-DL-phenylalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.