Ethyl 2-cyano-3-(1-naphthyl)-3-phenylpropanoate
TL;DR: Ethyl 2-cyano-3-(1-naphthyl)-3-phenylpropanoate (CAS 62875-49-4) is a chemical compound with molecular formula C22H19NO2 and molecular weight 329.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-naphthalen-1-yl-3-phenylpropanoate
Also Known As: ethyl 2-cyano-3-(1-naphthyl)-3-phenylpropanoate, ethyl 2-cyano-3-naphthalen-1-yl-3-phenylpropanoate, Ethyl 2-cyano-3-(naphthalen-1-yl)-3-phenylpropanoate
| Molecular Formula | C22H19NO2 |
|---|---|
| Molecular Weight | 329.14 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.14157 |
| Heavy Atoms | 25 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 62875-49-4 |
|---|---|
| SMILES | CCOC(=O)C(C#N)C(C1=CC=CC=C1)C2=CC=CC3=CC=CC=C32 |
| InChIKey | KNVTZIDAGQXKIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-cyano-3-(1-naphthyl)-3-phenylpropanoate (CAS 62875-49-4), with molecular formula C22H19NO2 and molecular weight 329.14 g/mol. IUPAC: ethyl 2-cyano-3-naphthalen-1-yl-3-phenylpropanoate.
Chemical Property Profile of Ethyl 2-cyano-3-(1-naphthyl)-3-phenylpropanoate
Property Insights of Ethyl 2-cyano-3-(1-naphthyl)-3-phenylpropanoate
The XLogP value of 5.1 indicates that Ethyl 2-cyano-3-(1-naphthyl)-3-phenylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, Ethyl 2-cyano-3-(1-naphthyl)-3-phenylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-cyano-3-(1-naphthyl)-3-phenylpropanoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-cyano-3-(1-naphthyl)-3-phenylpropanoate?
The CAS number of Ethyl 2-cyano-3-(1-naphthyl)-3-phenylpropanoate is 62875-49-4.
What is the molecular formula of Ethyl 2-cyano-3-(1-naphthyl)-3-phenylpropanoate?
The molecular formula of Ethyl 2-cyano-3-(1-naphthyl)-3-phenylpropanoate is C22H19NO2.
What is the molecular weight of Ethyl 2-cyano-3-(1-naphthyl)-3-phenylpropanoate?
The molecular weight of Ethyl 2-cyano-3-(1-naphthyl)-3-phenylpropanoate is 329.14 g/mol.
Where can I buy Ethyl 2-cyano-3-(1-naphthyl)-3-phenylpropanoate?
You can request a quote for Ethyl 2-cyano-3-(1-naphthyl)-3-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-cyano-3-(1-naphthyl)-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-3-(1-naphthyl)-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.