苯丙氨酸乙酯
TL;DR: 苯丙氨酸乙酯 (CAS 3081-24-1) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯丙氨酸乙酯
ethyl (2S)-2-amino-3-phenylpropanoate
Also Known As: Ethyl L-phenylalanate, ethyl l-phenylalaninate, Phenylalanine, ethyl ester, Phenylalanine ethyl ester, ethyl (2S)-2-amino-3-phenylpropanoate
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 3081-24-1 |
|---|---|
| SMILES | CCOC(=O)[C@H](CC1=CC=CC=C1)N |
| InChIKey | CJGXMNONHNZEQQ-JTQLQIEISA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯丙氨酸乙酯 (CAS 3081-24-1), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: ethyl (2S)-2-amino-3-phenylpropanoate.
Chemical Property Profile of 苯丙氨酸乙酯
Property Insights of 苯丙氨酸乙酯
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯丙氨酸乙酯. With a topological polar surface area (TPSA) of 52.3 Ų, 苯丙氨酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 苯丙氨酸乙酯?
The CAS number of 苯丙氨酸乙酯 is 3081-24-1.
What is the molecular formula of 苯丙氨酸乙酯?
The molecular formula of 苯丙氨酸乙酯 is C11H15NO2.
What is the molecular weight of 苯丙氨酸乙酯?
The molecular weight of 苯丙氨酸乙酯 is 193.11 g/mol.
Where can I buy 苯丙氨酸乙酯?
You can request a quote for 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 苯丙氨酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 苯丙氨酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.