![[2,2,2-Trichloro-1-[(2-cyanoacetyl)amino]ethyl] acetate structure](/static/products/646/646506-46-9.png)
[2,2,2-Trichloro-1-[(2-cyanoacetyl)amino]ethyl] acetate
TL;DR: [2,2,2-Trichloro-1-[(2-cyanoacetyl)amino]ethyl] acetate (CAS 646506-46-9) is a chemical compound with molecular formula C7H7Cl3N2O3 and molecular weight 271.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,2,2-trichloro-1-[(2-cyanoacetyl)amino]ethyl] acetate
Also Known As: 2,2,2-trichloro-1-[(2-cyanoacetyl)amino]ethyl acetate, 2,2,2-trichloro-1-(2-cyanoacetamido)ethyl acetate, [2,2,2-trichloro-1-[(2-cyanoacetyl)amino]ethyl] acetate
| Molecular Formula | C7H7Cl3N2O3 |
|---|---|
| Molecular Weight | 271.95 g/mol |
| LogP | 1.27568 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.95224 |
| Heavy Atoms | 15 |
| Complexity | 294.836 |
Chemical Identifiers
| CAS Number | 646506-46-9 |
|---|---|
| SMILES | CC(=O)OC(C(Cl)(Cl)Cl)NC(=O)CC#N |
Product Overview
[2,2,2-Trichloro-1-[(2-cyanoacetyl)amino]ethyl] acetate (CAS 646506-46-9), with molecular formula C7H7Cl3N2O3 and molecular weight 271.95 g/mol. IUPAC: [2,2,2-trichloro-1-[(2-cyanoacetyl)amino]ethyl] acetate.
Chemical Property Profile of [2,2,2-Trichloro-1-[(2-cyanoacetyl)amino]ethyl] acetate
Property Insights of [2,2,2-Trichloro-1-[(2-cyanoacetyl)amino]ethyl] acetate
The XLogP value of 1.27568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2,2,2-Trichloro-1-[(2-cyanoacetyl)amino]ethyl] acetate. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for [2,2,2-Trichloro-1-[(2-cyanoacetyl)amino]ethyl] acetate. Following Lipinski's Rule of Five, [2,2,2-Trichloro-1-[(2-cyanoacetyl)amino]ethyl] acetate 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 [2,2,2-Trichloro-1-[(2-cyanoacetyl)amino]ethyl] acetate?
The CAS number of [2,2,2-Trichloro-1-[(2-cyanoacetyl)amino]ethyl] acetate is 646506-46-9.
What is the molecular formula of [2,2,2-Trichloro-1-[(2-cyanoacetyl)amino]ethyl] acetate?
The molecular formula of [2,2,2-Trichloro-1-[(2-cyanoacetyl)amino]ethyl] acetate is C7H7Cl3N2O3.
What is the molecular weight of [2,2,2-Trichloro-1-[(2-cyanoacetyl)amino]ethyl] acetate?
The molecular weight of [2,2,2-Trichloro-1-[(2-cyanoacetyl)amino]ethyl] acetate is 271.95 g/mol.
Where can I buy [2,2,2-Trichloro-1-[(2-cyanoacetyl)amino]ethyl] acetate?
You can request a quote for [2,2,2-Trichloro-1-[(2-cyanoacetyl)amino]ethyl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2,2,2-Trichloro-1-[(2-cyanoacetyl)amino]ethyl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [2,2,2-Trichloro-1-[(2-cyanoacetyl)amino]ethyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.