Ethyl 2-(benzylamino)propanoate
TL;DR: Ethyl 2-(benzylamino)propanoate (CAS 6266-91-7) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(benzylamino)propanoate
Also Known As: ethyl 2-(benzylamino)propanoate, Ethyl benzylalaninate, ethyl n-benzylalaninate, Ethyl2-(benzylamino)propanoate, ethyl 2-[benzylamino]propanoate
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 6266-91-7 |
|---|---|
| SMILES | CCOC(=O)C(C)NCC1=CC=CC=C1 |
| InChIKey | QDBFFNIUCGDMQN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-(benzylamino)propanoate (CAS 6266-91-7), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: ethyl 2-(benzylamino)propanoate.
Chemical Property Profile of Ethyl 2-(benzylamino)propanoate
Property Insights of Ethyl 2-(benzylamino)propanoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(benzylamino)propanoate. With a topological polar surface area (TPSA) of 38.3 Ų, Ethyl 2-(benzylamino)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(benzylamino)propanoate 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 2-(benzylamino)propanoate?
The CAS number of Ethyl 2-(benzylamino)propanoate is 6266-91-7.
What is the molecular formula of Ethyl 2-(benzylamino)propanoate?
The molecular formula of Ethyl 2-(benzylamino)propanoate is C12H17NO2.
What is the molecular weight of Ethyl 2-(benzylamino)propanoate?
The molecular weight of Ethyl 2-(benzylamino)propanoate is 207.13 g/mol.
Where can I buy Ethyl 2-(benzylamino)propanoate?
You can request a quote for Ethyl 2-(benzylamino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(benzylamino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(benzylamino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.