![2-[(2-Cyanoacetyl)amino]ethyl 2,2,2-trifluoroacetate structure](/static/products/5903/590355-65-0.webp)
2-[(2-Cyanoacetyl)amino]ethyl 2,2,2-trifluoroacetate
TL;DR: 2-[(2-Cyanoacetyl)amino]ethyl 2,2,2-trifluoroacetate (CAS 590355-65-0) is a chemical compound with molecular formula C7H7F3N2O3 and molecular weight 224.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-cyanoacetyl)amino]ethyl 2,2,2-trifluoroacetate
Also Known As: 2-[(2-cyanoacetyl)amino]ethyl 2,2,2-trifluoroacetate, 2-(2-Cyanoacetamido)ethyl trifluoroacetate, 2-[(cyanoacetyl)amino]ethyl trifluoroacetate, 2-(2-cyanoacetylamino)ethyl 2,2,2-trifluoroacetate
| Molecular Formula | C7H7F3N2O3 |
|---|---|
| Molecular Weight | 224.04 g/mol |
| LogP | 0.12178 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.04088 |
| Heavy Atoms | 15 |
| Complexity | 282.18546 |
Chemical Identifiers
| CAS Number | 590355-65-0 |
|---|---|
| SMILES | C(COC(=O)C(F)(F)F)NC(=O)CC#N |
Product Overview
2-[(2-Cyanoacetyl)amino]ethyl 2,2,2-trifluoroacetate (CAS 590355-65-0), with molecular formula C7H7F3N2O3 and molecular weight 224.04 g/mol. IUPAC: 2-[(2-cyanoacetyl)amino]ethyl 2,2,2-trifluoroacetate.
Chemical Property Profile of 2-[(2-Cyanoacetyl)amino]ethyl 2,2,2-trifluoroacetate
Property Insights of 2-[(2-Cyanoacetyl)amino]ethyl 2,2,2-trifluoroacetate
The XLogP value of 0.12178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-Cyanoacetyl)amino]ethyl 2,2,2-trifluoroacetate. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Cyanoacetyl)amino]ethyl 2,2,2-trifluoroacetate. Following Lipinski's Rule of Five, 2-[(2-Cyanoacetyl)amino]ethyl 2,2,2-trifluoroacetate has 1 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 2-[(2-Cyanoacetyl)amino]ethyl 2,2,2-trifluoroacetate?
The CAS number of 2-[(2-Cyanoacetyl)amino]ethyl 2,2,2-trifluoroacetate is 590355-65-0.
What is the molecular formula of 2-[(2-Cyanoacetyl)amino]ethyl 2,2,2-trifluoroacetate?
The molecular formula of 2-[(2-Cyanoacetyl)amino]ethyl 2,2,2-trifluoroacetate is C7H7F3N2O3.
What is the molecular weight of 2-[(2-Cyanoacetyl)amino]ethyl 2,2,2-trifluoroacetate?
The molecular weight of 2-[(2-Cyanoacetyl)amino]ethyl 2,2,2-trifluoroacetate is 224.04 g/mol.
Where can I buy 2-[(2-Cyanoacetyl)amino]ethyl 2,2,2-trifluoroacetate?
You can request a quote for 2-[(2-Cyanoacetyl)amino]ethyl 2,2,2-trifluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-Cyanoacetyl)amino]ethyl 2,2,2-trifluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Cyanoacetyl)amino]ethyl 2,2,2-trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.