![Ethyl 2-cyano-2-[2-nitro-4-(trifluoromethyl)phenyl]acetate structure](/static/products/4510/45102-52-1.webp)
Ethyl 2-cyano-2-[2-nitro-4-(trifluoromethyl)phenyl]acetate
TL;DR: Ethyl 2-cyano-2-[2-nitro-4-(trifluoromethyl)phenyl]acetate (CAS 45102-52-1) is a chemical compound with molecular formula C12H9F3N2O4 and molecular weight 302.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-2-[2-nitro-4-(trifluoromethyl)phenyl]acetate
Also Known As: ethyl 2-cyano-2-[2-nitro-4-(trifluoromethyl)phenyl]acetate, Ethyl 2-cyano-2-(2-nitro-4-(trifluoromethyl)phenyl)acetate, Ethyl cyano-[2-nitro-4-(trifluoromethyl)phenyl]acetate, 2,2,3,3-Tetrafluoropropyl methacrylate, ETHYL ALPHA-CYANO-2-NITRO-4-(TRIFLUOROMETHYL)PHENYLACETATE
| Molecular Formula | C12H9F3N2O4 |
|---|---|
| Molecular Weight | 302.05 g/mol |
| LogP | 2.78388 |
| Topological Polar Surface Area | 93.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.05145 |
| Heavy Atoms | 21 |
| Complexity | 607.5006 |
Chemical Identifiers
| CAS Number | 45102-52-1 |
|---|---|
| SMILES | CCOC(=O)C(C#N)C1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-] |
Product Overview
Ethyl 2-cyano-2-[2-nitro-4-(trifluoromethyl)phenyl]acetate (CAS 45102-52-1), with molecular formula C12H9F3N2O4 and molecular weight 302.05 g/mol. IUPAC: ethyl 2-cyano-2-[2-nitro-4-(trifluoromethyl)phenyl]acetate.
Chemical Property Profile of Ethyl 2-cyano-2-[2-nitro-4-(trifluoromethyl)phenyl]acetate
Property Insights of Ethyl 2-cyano-2-[2-nitro-4-(trifluoromethyl)phenyl]acetate
The XLogP value of 2.78388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-2-[2-nitro-4-(trifluoromethyl)phenyl]acetate. The TPSA of 93.23 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-cyano-2-[2-nitro-4-(trifluoromethyl)phenyl]acetate. Following Lipinski's Rule of Five, Ethyl 2-cyano-2-[2-nitro-4-(trifluoromethyl)phenyl]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-nitro-4-(trifluoromethyl)phenyl]acetate?
The CAS number of Ethyl 2-cyano-2-[2-nitro-4-(trifluoromethyl)phenyl]acetate is 45102-52-1.
What is the molecular formula of Ethyl 2-cyano-2-[2-nitro-4-(trifluoromethyl)phenyl]acetate?
The molecular formula of Ethyl 2-cyano-2-[2-nitro-4-(trifluoromethyl)phenyl]acetate is C12H9F3N2O4.
What is the molecular weight of Ethyl 2-cyano-2-[2-nitro-4-(trifluoromethyl)phenyl]acetate?
The molecular weight of Ethyl 2-cyano-2-[2-nitro-4-(trifluoromethyl)phenyl]acetate is 302.05 g/mol.
Where can I buy Ethyl 2-cyano-2-[2-nitro-4-(trifluoromethyl)phenyl]acetate?
You can request a quote for Ethyl 2-cyano-2-[2-nitro-4-(trifluoromethyl)phenyl]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-nitro-4-(trifluoromethyl)phenyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-2-[2-nitro-4-(trifluoromethyl)phenyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.