Ethyl N-(2-ethoxy-2-oxoethyl)-N-(phenylmethyl)-beta-alaninate
TL;DR: Ethyl N-(2-ethoxy-2-oxoethyl)-N-(phenylmethyl)-beta-alaninate (CAS 795-18-6) is a chemical compound with molecular formula C16H23NO4 and molecular weight 293.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[benzyl-(2-ethoxy-2-oxoethyl)amino]propanoate
Also Known As: Ethyl N-(2-ethoxy-2-oxoethyl)-N-(phenylmethyl)-beta-alaninate, ethylN- -N- -beta-alaninate, Ethyl 3-(benzyl(2-ethoxy-2-oxoethyl)amino)propanoate, 3-(BENZYL-ETHOXYCARBONYLMETHYL-AMINO)-PROPIONIC ACID ETHYL ESTER, ETHYL 3-[BENZYL(2-ETHOXY-2-OXOETHYL)AMINO]PROPANOATE
| Molecular Formula | C16H23NO4 |
|---|---|
| Molecular Weight | 293.16 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 293.16272 |
| Heavy Atoms | 21 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 795-18-6 |
|---|---|
| SMILES | CCOC(=O)CCN(CC1=CC=CC=C1)CC(=O)OCC |
| InChIKey | JWYHGTSTWMQTHS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl N-(2-ethoxy-2-oxoethyl)-N-(phenylmethyl)-beta-alaninate (CAS 795-18-6), with molecular formula C16H23NO4 and molecular weight 293.16 g/mol. IUPAC: ethyl 3-[benzyl-(2-ethoxy-2-oxoethyl)amino]propanoate.
Chemical Property Profile of Ethyl N-(2-ethoxy-2-oxoethyl)-N-(phenylmethyl)-beta-alaninate
Property Insights of Ethyl N-(2-ethoxy-2-oxoethyl)-N-(phenylmethyl)-beta-alaninate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl N-(2-ethoxy-2-oxoethyl)-N-(phenylmethyl)-beta-alaninate. With a topological polar surface area (TPSA) of 55.8 Ų, Ethyl N-(2-ethoxy-2-oxoethyl)-N-(phenylmethyl)-beta-alaninate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl N-(2-ethoxy-2-oxoethyl)-N-(phenylmethyl)-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-(2-ethoxy-2-oxoethyl)-N-(phenylmethyl)-beta-alaninate?
The CAS number of Ethyl N-(2-ethoxy-2-oxoethyl)-N-(phenylmethyl)-beta-alaninate is 795-18-6.
What is the molecular formula of Ethyl N-(2-ethoxy-2-oxoethyl)-N-(phenylmethyl)-beta-alaninate?
The molecular formula of Ethyl N-(2-ethoxy-2-oxoethyl)-N-(phenylmethyl)-beta-alaninate is C16H23NO4.
What is the molecular weight of Ethyl N-(2-ethoxy-2-oxoethyl)-N-(phenylmethyl)-beta-alaninate?
The molecular weight of Ethyl N-(2-ethoxy-2-oxoethyl)-N-(phenylmethyl)-beta-alaninate is 293.16 g/mol.
Where can I buy Ethyl N-(2-ethoxy-2-oxoethyl)-N-(phenylmethyl)-beta-alaninate?
You can request a quote for Ethyl N-(2-ethoxy-2-oxoethyl)-N-(phenylmethyl)-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-(2-ethoxy-2-oxoethyl)-N-(phenylmethyl)-beta-alaninate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl N-(2-ethoxy-2-oxoethyl)-N-(phenylmethyl)-beta-alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.