Ethyl 3-amino-2-phenylpropanoate
TL;DR: Ethyl 3-amino-2-phenylpropanoate (CAS 29754-00-5) 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.
ethyl 3-amino-2-phenylpropanoate
Also Known As: ethyl 3-amino-2-phenylpropanoate, ethyl3-amino-2-phenylpropanoate, ethyl-3-amino-2-phenylpropanoate, ethyl 3-amino-2-phenyl-propanoate, 3-Amino-2-phenyl-propionic acid ethyl ester
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 1.2 |
| 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 | 29754-00-5 |
|---|---|
| SMILES | CCOC(=O)C(CN)C1=CC=CC=C1 |
| InChIKey | UCMZOSVQTOVXAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-amino-2-phenylpropanoate (CAS 29754-00-5), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: ethyl 3-amino-2-phenylpropanoate.
Chemical Property Profile of Ethyl 3-amino-2-phenylpropanoate
Property Insights of Ethyl 3-amino-2-phenylpropanoate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-amino-2-phenylpropanoate. With a topological polar surface area (TPSA) of 52.3 Ų, Ethyl 3-amino-2-phenylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-amino-2-phenylpropanoate 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 Ethyl 3-amino-2-phenylpropanoate?
The CAS number of Ethyl 3-amino-2-phenylpropanoate is 29754-00-5.
What is the molecular formula of Ethyl 3-amino-2-phenylpropanoate?
The molecular formula of Ethyl 3-amino-2-phenylpropanoate is C11H15NO2.
What is the molecular weight of Ethyl 3-amino-2-phenylpropanoate?
The molecular weight of Ethyl 3-amino-2-phenylpropanoate is 193.11 g/mol.
Where can I buy Ethyl 3-amino-2-phenylpropanoate?
You can request a quote for Ethyl 3-amino-2-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-amino-2-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-amino-2-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.