Ethyl 2-(2-ethoxycarbonylethylamino)-3-phenyl-propanoate
TL;DR: Ethyl 2-(2-ethoxycarbonylethylamino)-3-phenyl-propanoate (CAS 5464-50-6) 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 2-[(3-ethoxy-3-oxopropyl)amino]-3-phenylpropanoate
Also Known As: Ethyl N-(3-ethoxy-3-oxopropyl)phenylalaninate, ETHYL 2-(2-ETHOXYCARBONYLETHYLAMINO)-3-PHENYL-PROPANOATE, ethyl 2-[(3-ethoxy-3-oxopropyl)amino]-3-phenylpropanoate
| Molecular Formula | C16H23NO4 |
|---|---|
| Molecular Weight | 293.16 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 293.16272 |
| Heavy Atoms | 21 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 5464-50-6 |
|---|---|
| SMILES | CCOC(=O)CCNC(CC1=CC=CC=C1)C(=O)OCC |
| InChIKey | LCUOUDBPQTXVDC-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(2-ethoxycarbonylethylamino)-3-phenyl-propanoate (CAS 5464-50-6), with molecular formula C16H23NO4 and molecular weight 293.16 g/mol. IUPAC: ethyl 2-[(3-ethoxy-3-oxopropyl)amino]-3-phenylpropanoate.
Chemical Property Profile of Ethyl 2-(2-ethoxycarbonylethylamino)-3-phenyl-propanoate
Property Insights of Ethyl 2-(2-ethoxycarbonylethylamino)-3-phenyl-propanoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(2-ethoxycarbonylethylamino)-3-phenyl-propanoate. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(2-ethoxycarbonylethylamino)-3-phenyl-propanoate. Following Lipinski's Rule of Five, Ethyl 2-(2-ethoxycarbonylethylamino)-3-phenyl-propanoate has 1 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 2-(2-ethoxycarbonylethylamino)-3-phenyl-propanoate?
The CAS number of Ethyl 2-(2-ethoxycarbonylethylamino)-3-phenyl-propanoate is 5464-50-6.
What is the molecular formula of Ethyl 2-(2-ethoxycarbonylethylamino)-3-phenyl-propanoate?
The molecular formula of Ethyl 2-(2-ethoxycarbonylethylamino)-3-phenyl-propanoate is C16H23NO4.
What is the molecular weight of Ethyl 2-(2-ethoxycarbonylethylamino)-3-phenyl-propanoate?
The molecular weight of Ethyl 2-(2-ethoxycarbonylethylamino)-3-phenyl-propanoate is 293.16 g/mol.
Where can I buy Ethyl 2-(2-ethoxycarbonylethylamino)-3-phenyl-propanoate?
You can request a quote for Ethyl 2-(2-ethoxycarbonylethylamino)-3-phenyl-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-(2-ethoxycarbonylethylamino)-3-phenyl-propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2-ethoxycarbonylethylamino)-3-phenyl-propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.