Ethyl 2-((3-cyano-4,6-dimethyl-2-pyridinyl)oxy)acetate
TL;DR: Ethyl 2-((3-cyano-4,6-dimethyl-2-pyridinyl)oxy)acetate (CAS 53475-54-0) is a chemical compound with molecular formula C12H14N2O3 and molecular weight 234.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]acetate
Also Known As: ethyl [(3-cyano-4,6-dimethylpyridin-2-yl)oxy]acetate, J1.229.594D, ethyl 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]acetate, ethyl 2-(3-cyano-4,6-dimethyl-2-pyridyloxy)acetate, ethyl 2-(3-cyano-4,6-dimethylpyridin-2-yl)oxyacetate
| Molecular Formula | C12H14N2O3 |
|---|---|
| Molecular Weight | 234.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 72.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 234.10045 |
| Heavy Atoms | 17 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 53475-54-0 |
|---|---|
| SMILES | CCOC(=O)COC1=C(C(=CC(=N1)C)C)C#N |
| InChIKey | OPPFIIVDCKZLLC-UHFFFAOYSA-N |
Product Overview
Ethyl 2-((3-cyano-4,6-dimethyl-2-pyridinyl)oxy)acetate (CAS 53475-54-0), with molecular formula C12H14N2O3 and molecular weight 234.10 g/mol. IUPAC: ethyl 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]acetate.
Chemical Property Profile of Ethyl 2-((3-cyano-4,6-dimethyl-2-pyridinyl)oxy)acetate
Property Insights of Ethyl 2-((3-cyano-4,6-dimethyl-2-pyridinyl)oxy)acetate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-((3-cyano-4,6-dimethyl-2-pyridinyl)oxy)acetate. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-((3-cyano-4,6-dimethyl-2-pyridinyl)oxy)acetate. Following Lipinski's Rule of Five, Ethyl 2-((3-cyano-4,6-dimethyl-2-pyridinyl)oxy)acetate has 0 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-((3-cyano-4,6-dimethyl-2-pyridinyl)oxy)acetate?
The CAS number of Ethyl 2-((3-cyano-4,6-dimethyl-2-pyridinyl)oxy)acetate is 53475-54-0.
What is the molecular formula of Ethyl 2-((3-cyano-4,6-dimethyl-2-pyridinyl)oxy)acetate?
The molecular formula of Ethyl 2-((3-cyano-4,6-dimethyl-2-pyridinyl)oxy)acetate is C12H14N2O3.
What is the molecular weight of Ethyl 2-((3-cyano-4,6-dimethyl-2-pyridinyl)oxy)acetate?
The molecular weight of Ethyl 2-((3-cyano-4,6-dimethyl-2-pyridinyl)oxy)acetate is 234.10 g/mol.
Where can I buy Ethyl 2-((3-cyano-4,6-dimethyl-2-pyridinyl)oxy)acetate?
You can request a quote for Ethyl 2-((3-cyano-4,6-dimethyl-2-pyridinyl)oxy)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-((3-cyano-4,6-dimethyl-2-pyridinyl)oxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-((3-cyano-4,6-dimethyl-2-pyridinyl)oxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.