Ethyl 2-(2-Naphthyl)cyanoacetate
TL;DR: Ethyl 2-(2-Naphthyl)cyanoacetate (CAS 102276-86-8) is a chemical compound with molecular formula C15H13NO2 and molecular weight 239.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-2-naphthalen-2-ylacetate
Also Known As: Ethyl 2-(2-Naphthyl)cyanoacetate, ethyl cyano(naphthalen-2-yl)acetate, ethyl 2-cyano-2-(naphthalen-2-yl)acetate, ethyl 2-cyano-2-naphthalen-2-ylacetate, Cyano(2-naphthyl)acetic acid ethyl ester
| Molecular Formula | C15H13NO2 |
|---|---|
| Molecular Weight | 239.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.09464 |
| Heavy Atoms | 18 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 102276-86-8 |
|---|---|
| SMILES | CCOC(=O)C(C#N)C1=CC2=CC=CC=C2C=C1 |
| InChIKey | XSMRCCSZXYUQDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-(2-Naphthyl)cyanoacetate (CAS 102276-86-8), with molecular formula C15H13NO2 and molecular weight 239.09 g/mol. IUPAC: ethyl 2-cyano-2-naphthalen-2-ylacetate.
Chemical Property Profile of Ethyl 2-(2-Naphthyl)cyanoacetate
Property Insights of Ethyl 2-(2-Naphthyl)cyanoacetate
The XLogP value of 3.3 indicates that Ethyl 2-(2-Naphthyl)cyanoacetate 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-(2-Naphthyl)cyanoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(2-Naphthyl)cyanoacetate has 0 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-(2-Naphthyl)cyanoacetate?
The CAS number of Ethyl 2-(2-Naphthyl)cyanoacetate is 102276-86-8.
What is the molecular formula of Ethyl 2-(2-Naphthyl)cyanoacetate?
The molecular formula of Ethyl 2-(2-Naphthyl)cyanoacetate is C15H13NO2.
What is the molecular weight of Ethyl 2-(2-Naphthyl)cyanoacetate?
The molecular weight of Ethyl 2-(2-Naphthyl)cyanoacetate is 239.09 g/mol.
Where can I buy Ethyl 2-(2-Naphthyl)cyanoacetate?
You can request a quote for Ethyl 2-(2-Naphthyl)cyanoacetate 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-Naphthyl)cyanoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2-Naphthyl)cyanoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.