N-乙酰-L-苯丙氨酸乙酯
TL;DR: N-乙酰-L-苯丙氨酸乙酯 (CAS 2361-96-8) is a chemical compound with molecular formula C13H17NO3 and molecular weight 235.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-乙酰-L-苯丙氨酸乙酯
ethyl (2S)-2-acetamido-3-phenylpropanoate
Also Known As: N-Acetyl-L-phenylalanine ethyl ester, (S)-Ethyl 2-acetamido-3-phenylpropanoate, AcPhe-OEt, N-Ac-Phe-OEt, Acetyl-L-phenylalanine Ethyl Ester
| Molecular Formula | C13H17NO3 |
|---|---|
| Molecular Weight | 235.12 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 235.12085 |
| Heavy Atoms | 17 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 2361-96-8 |
|---|---|
| SMILES | CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C |
| InChIKey | YIVZYFDBEPMPNL-LBPRGKRZSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-乙酰-L-苯丙氨酸乙酯 (CAS 2361-96-8), with molecular formula C13H17NO3 and molecular weight 235.12 g/mol. IUPAC: ethyl (2S)-2-acetamido-3-phenylpropanoate.
Chemical Property Profile of N-乙酰-L-苯丙氨酸乙酯
Property Insights of N-乙酰-L-苯丙氨酸乙酯
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-乙酰-L-苯丙氨酸乙酯. With a topological polar surface area (TPSA) of 55.4 Ų, N-乙酰-L-苯丙氨酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-乙酰-L-苯丙氨酸乙酯 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 N-乙酰-L-苯丙氨酸乙酯?
The CAS number of N-乙酰-L-苯丙氨酸乙酯 is 2361-96-8.
What is the molecular formula of N-乙酰-L-苯丙氨酸乙酯?
The molecular formula of N-乙酰-L-苯丙氨酸乙酯 is C13H17NO3.
What is the molecular weight of N-乙酰-L-苯丙氨酸乙酯?
The molecular weight of N-乙酰-L-苯丙氨酸乙酯 is 235.12 g/mol.
Where can I buy N-乙酰-L-苯丙氨酸乙酯?
You can request a quote for N-乙酰-L-苯丙氨酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-乙酰-L-苯丙氨酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for N-乙酰-L-苯丙氨酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.