Ethyl 2-cyano-2-(2-nitrophenyl)acetate
TL;DR: Ethyl 2-cyano-2-(2-nitrophenyl)acetate (CAS 65548-02-9) is a chemical compound with molecular formula C11H10N2O4 and molecular weight 234.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-2-(2-nitrophenyl)acetate
Also Known As: ethyl 2-cyano-2-(2-nitrophenyl)acetate, ethyl cyano(2-nitrophenyl)acetate, ethyl2-cyano-2- acetate, ethyl 2-nitrophenylcyanoacetate, ethyl cyano-2-nitrophenylacetate
| Molecular Formula | C11H10N2O4 |
|---|---|
| Molecular Weight | 234.06 g/mol |
| LogP | 1.76508 |
| Topological Polar Surface Area | 93.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.06406 |
| Heavy Atoms | 17 |
| Complexity | 478.60492 |
Chemical Identifiers
| CAS Number | 65548-02-9 |
|---|---|
| SMILES | CCOC(=O)C(C#N)C1=CC=CC=C1[N+](=O)[O-] |
Product Overview
Ethyl 2-cyano-2-(2-nitrophenyl)acetate (CAS 65548-02-9), with molecular formula C11H10N2O4 and molecular weight 234.06 g/mol. IUPAC: ethyl 2-cyano-2-(2-nitrophenyl)acetate.
Chemical Property Profile of Ethyl 2-cyano-2-(2-nitrophenyl)acetate
Property Insights of Ethyl 2-cyano-2-(2-nitrophenyl)acetate
The XLogP value of 1.76508 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-2-(2-nitrophenyl)acetate. The TPSA of 93.23 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-cyano-2-(2-nitrophenyl)acetate. Following Lipinski's Rule of Five, Ethyl 2-cyano-2-(2-nitrophenyl)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-cyano-2-(2-nitrophenyl)acetate?
The CAS number of Ethyl 2-cyano-2-(2-nitrophenyl)acetate is 65548-02-9.
What is the molecular formula of Ethyl 2-cyano-2-(2-nitrophenyl)acetate?
The molecular formula of Ethyl 2-cyano-2-(2-nitrophenyl)acetate is C11H10N2O4.
What is the molecular weight of Ethyl 2-cyano-2-(2-nitrophenyl)acetate?
The molecular weight of Ethyl 2-cyano-2-(2-nitrophenyl)acetate is 234.06 g/mol.
Where can I buy Ethyl 2-cyano-2-(2-nitrophenyl)acetate?
You can request a quote for Ethyl 2-cyano-2-(2-nitrophenyl)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-(2-nitrophenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-2-(2-nitrophenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.