Ethyl 2-cyano-2-(pyridin-2-yl)acetate
TL;DR: Ethyl 2-cyano-2-(pyridin-2-yl)acetate (CAS 59601-57-9) is a chemical compound with molecular formula C10H10N2O2 and molecular weight 190.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-2-pyridin-2-ylacetate
Also Known As: Ethyl 2-cyano-2-(pyridin-2-yl)acetate, ethyl cyano(2-pyridinyl)acetate, ethyl 2-cyano-2-pyridin-2-ylacetate, Ethyl2-cyano-2-(pyridin-2-yl)acetate, (2-Pyridyl)cyanoacetic acid ethyl ester
| Molecular Formula | C10H10N2O2 |
|---|---|
| Molecular Weight | 190.07 g/mol |
| LogP | 1.25188 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.07423 |
| Heavy Atoms | 14 |
| Complexity | 342.88968 |
Chemical Identifiers
| CAS Number | 59601-57-9 |
|---|---|
| SMILES | CCOC(=O)C(C#N)C1=CC=CC=N1 |
Product Overview
Ethyl 2-cyano-2-(pyridin-2-yl)acetate (CAS 59601-57-9), with molecular formula C10H10N2O2 and molecular weight 190.07 g/mol. IUPAC: ethyl 2-cyano-2-pyridin-2-ylacetate.
Chemical Property Profile of Ethyl 2-cyano-2-(pyridin-2-yl)acetate
Property Insights of Ethyl 2-cyano-2-(pyridin-2-yl)acetate
The XLogP value of 1.25188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-2-(pyridin-2-yl)acetate. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-cyano-2-(pyridin-2-yl)acetate. Following Lipinski's Rule of Five, Ethyl 2-cyano-2-(pyridin-2-yl)acetate 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-cyano-2-(pyridin-2-yl)acetate?
The CAS number of Ethyl 2-cyano-2-(pyridin-2-yl)acetate is 59601-57-9.
What is the molecular formula of Ethyl 2-cyano-2-(pyridin-2-yl)acetate?
The molecular formula of Ethyl 2-cyano-2-(pyridin-2-yl)acetate is C10H10N2O2.
What is the molecular weight of Ethyl 2-cyano-2-(pyridin-2-yl)acetate?
The molecular weight of Ethyl 2-cyano-2-(pyridin-2-yl)acetate is 190.07 g/mol.
Where can I buy Ethyl 2-cyano-2-(pyridin-2-yl)acetate?
You can request a quote for Ethyl 2-cyano-2-(pyridin-2-yl)acetate 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-2-(pyridin-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-2-(pyridin-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.