Ethyl N-(3-ethoxy-3-oxopropyl)-N-(2-phenylethyl)-beta-alaninate
TL;DR: Ethyl N-(3-ethoxy-3-oxopropyl)-N-(2-phenylethyl)-beta-alaninate (CAS 57958-47-1) is a chemical compound with molecular formula C18H27NO4 and molecular weight 321.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(3-ethoxy-3-oxopropyl)-(1-phenylethyl)amino]propanoate
Also Known As: Ethyl N-(3-ethoxy-3-oxopropyl)-N-(2-phenylethyl)-beta-alaninate, 3,3'-Phenaethylimino-di-propionsaeure-diaethylester, ethyl 3-[(3-ethoxy-3-oxopropyl)-(2-phenylethyl)amino]propanoate, ethyl 3-[(3-ethoxy-3-oxopropyl)-(1-phenylethyl)amino]propanoate, 261-039-9
| Molecular Formula | C18H27NO4 |
|---|---|
| Molecular Weight | 321.19 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 321.194 |
| Heavy Atoms | 23 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 57958-47-1 |
|---|---|
| SMILES | CCOC(=O)CCN(CCC(=O)OCC)C(C)C1=CC=CC=C1 |
| InChIKey | JDIXBJNBDPYUOX-UHFFFAOYSA-N |
Product Overview
Ethyl N-(3-ethoxy-3-oxopropyl)-N-(2-phenylethyl)-beta-alaninate (CAS 57958-47-1), with molecular formula C18H27NO4 and molecular weight 321.19 g/mol. IUPAC: ethyl 3-[(3-ethoxy-3-oxopropyl)-(1-phenylethyl)amino]propanoate.
Chemical Property Profile of Ethyl N-(3-ethoxy-3-oxopropyl)-N-(2-phenylethyl)-beta-alaninate
Property Insights of Ethyl N-(3-ethoxy-3-oxopropyl)-N-(2-phenylethyl)-beta-alaninate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl N-(3-ethoxy-3-oxopropyl)-N-(2-phenylethyl)-beta-alaninate. With a topological polar surface area (TPSA) of 55.8 Ų, Ethyl N-(3-ethoxy-3-oxopropyl)-N-(2-phenylethyl)-beta-alaninate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl N-(3-ethoxy-3-oxopropyl)-N-(2-phenylethyl)-beta-alaninate has 0 hydrogen bond donor(s) and 5 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 N-(3-ethoxy-3-oxopropyl)-N-(2-phenylethyl)-beta-alaninate?
The CAS number of Ethyl N-(3-ethoxy-3-oxopropyl)-N-(2-phenylethyl)-beta-alaninate is 57958-47-1.
What is the molecular formula of Ethyl N-(3-ethoxy-3-oxopropyl)-N-(2-phenylethyl)-beta-alaninate?
The molecular formula of Ethyl N-(3-ethoxy-3-oxopropyl)-N-(2-phenylethyl)-beta-alaninate is C18H27NO4.
What is the molecular weight of Ethyl N-(3-ethoxy-3-oxopropyl)-N-(2-phenylethyl)-beta-alaninate?
The molecular weight of Ethyl N-(3-ethoxy-3-oxopropyl)-N-(2-phenylethyl)-beta-alaninate is 321.19 g/mol.
Where can I buy Ethyl N-(3-ethoxy-3-oxopropyl)-N-(2-phenylethyl)-beta-alaninate?
You can request a quote for Ethyl N-(3-ethoxy-3-oxopropyl)-N-(2-phenylethyl)-beta-alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl N-(3-ethoxy-3-oxopropyl)-N-(2-phenylethyl)-beta-alaninate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl N-(3-ethoxy-3-oxopropyl)-N-(2-phenylethyl)-beta-alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.