2-Cyano-N-(2,2,2-trichloro-1-hydroxy-ethyl)-acetamide
TL;DR: 2-Cyano-N-(2,2,2-trichloro-1-hydroxy-ethyl)-acetamide (CAS 54888-09-4) is a chemical compound with molecular formula C5H5Cl3N2O2 and molecular weight 229.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-N-(2,2,2-trichloro-1-hydroxyethyl)acetamide
Also Known As: 2-cyano-N-(2,2,2-trichloro-1-hydroxyethyl)acetamide, 2-CYANO-N-(2,2,2-TRICHLORO-1-HYDROXY-ETHYL)-ACETAMIDE, N1-(2,2,2-trichloro-1-hydroxyethyl)-2-cyanoacetamide, 684-311-2, RefChem:470678
| Molecular Formula | C5H5Cl3N2O2 |
|---|---|
| Molecular Weight | 229.94 g/mol |
| LogP | 0.70488 |
| Topological Polar Surface Area | 73.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.94167 |
| Heavy Atoms | 12 |
| Complexity | 207.71931 |
Chemical Identifiers
| CAS Number | 54888-09-4 |
|---|---|
| SMILES | C(C#N)C(=O)NC(C(Cl)(Cl)Cl)O |
Product Overview
2-Cyano-N-(2,2,2-trichloro-1-hydroxy-ethyl)-acetamide (CAS 54888-09-4), with molecular formula C5H5Cl3N2O2 and molecular weight 229.94 g/mol. IUPAC: 2-cyano-N-(2,2,2-trichloro-1-hydroxyethyl)acetamide.
Chemical Property Profile of 2-Cyano-N-(2,2,2-trichloro-1-hydroxy-ethyl)-acetamide
Property Insights of 2-Cyano-N-(2,2,2-trichloro-1-hydroxy-ethyl)-acetamide
The XLogP value of 0.70488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-N-(2,2,2-trichloro-1-hydroxy-ethyl)-acetamide. The TPSA of 73.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-N-(2,2,2-trichloro-1-hydroxy-ethyl)-acetamide. Following Lipinski's Rule of Five, 2-Cyano-N-(2,2,2-trichloro-1-hydroxy-ethyl)-acetamide has 2 hydrogen bond donor(s) and 3 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-Cyano-N-(2,2,2-trichloro-1-hydroxy-ethyl)-acetamide?
The CAS number of 2-Cyano-N-(2,2,2-trichloro-1-hydroxy-ethyl)-acetamide is 54888-09-4.
What is the molecular formula of 2-Cyano-N-(2,2,2-trichloro-1-hydroxy-ethyl)-acetamide?
The molecular formula of 2-Cyano-N-(2,2,2-trichloro-1-hydroxy-ethyl)-acetamide is C5H5Cl3N2O2.
What is the molecular weight of 2-Cyano-N-(2,2,2-trichloro-1-hydroxy-ethyl)-acetamide?
The molecular weight of 2-Cyano-N-(2,2,2-trichloro-1-hydroxy-ethyl)-acetamide is 229.94 g/mol.
Where can I buy 2-Cyano-N-(2,2,2-trichloro-1-hydroxy-ethyl)-acetamide?
You can request a quote for 2-Cyano-N-(2,2,2-trichloro-1-hydroxy-ethyl)-acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-N-(2,2,2-trichloro-1-hydroxy-ethyl)-acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-N-(2,2,2-trichloro-1-hydroxy-ethyl)-acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.