Ethyl 2,3-dicyano-3-naphthalen-1-ylpropanoate
TL;DR: Ethyl 2,3-dicyano-3-naphthalen-1-ylpropanoate (CAS 62875-53-0) is a chemical compound with molecular formula C17H14N2O2 and molecular weight 278.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,3-dicyano-3-naphthalen-1-ylpropanoate
Also Known As: ethyl 2,3-dicyano-3-naphthalen-1-ylpropanoate, ETHYL 2,3-DICYANO-3-(NAPHTHALEN-1-YL)PROPANOATE, ETHYL 2,3-DICYANO-3-NAPHTHALEN-1-YL-PROPANOATE, 2,3-Dicyan-3-<1>naphthyl-propionsaeure-aethylester
| Molecular Formula | C17H14N2O2 |
|---|---|
| Molecular Weight | 278.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 73.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 278.10553 |
| Heavy Atoms | 21 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 62875-53-0 |
|---|---|
| SMILES | CCOC(=O)C(C#N)C(C#N)C1=CC=CC2=CC=CC=C21 |
| InChIKey | RCAXXGVGYKQHPU-UHFFFAOYSA-N |
Product Overview
Ethyl 2,3-dicyano-3-naphthalen-1-ylpropanoate (CAS 62875-53-0), with molecular formula C17H14N2O2 and molecular weight 278.11 g/mol. IUPAC: ethyl 2,3-dicyano-3-naphthalen-1-ylpropanoate.
Chemical Property Profile of Ethyl 2,3-dicyano-3-naphthalen-1-ylpropanoate
Property Insights of Ethyl 2,3-dicyano-3-naphthalen-1-ylpropanoate
The XLogP value of 3.0 indicates that Ethyl 2,3-dicyano-3-naphthalen-1-ylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2,3-dicyano-3-naphthalen-1-ylpropanoate. Following Lipinski's Rule of Five, Ethyl 2,3-dicyano-3-naphthalen-1-ylpropanoate has 0 hydrogen bond donor(s) and 4 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 2,3-dicyano-3-naphthalen-1-ylpropanoate?
The CAS number of Ethyl 2,3-dicyano-3-naphthalen-1-ylpropanoate is 62875-53-0.
What is the molecular formula of Ethyl 2,3-dicyano-3-naphthalen-1-ylpropanoate?
The molecular formula of Ethyl 2,3-dicyano-3-naphthalen-1-ylpropanoate is C17H14N2O2.
What is the molecular weight of Ethyl 2,3-dicyano-3-naphthalen-1-ylpropanoate?
The molecular weight of Ethyl 2,3-dicyano-3-naphthalen-1-ylpropanoate is 278.11 g/mol.
Where can I buy Ethyl 2,3-dicyano-3-naphthalen-1-ylpropanoate?
You can request a quote for Ethyl 2,3-dicyano-3-naphthalen-1-ylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,3-dicyano-3-naphthalen-1-ylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,3-dicyano-3-naphthalen-1-ylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.