N-(2-Chloroethyl)trichloroacetamide
TL;DR: N-(2-Chloroethyl)trichloroacetamide (CAS 64700-62-5) is a chemical compound with molecular formula C4H5Cl4NO and molecular weight 222.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloro-N-(2-chloroethyl)acetamide
Also Known As: Compound 50/181, Repellent 50/181, N-(2-Chloroethyl)trichloroacetamide, 2,2,2-trichloro-n-(2-chloroethyl)acetamide, Trichloro-N-(2-chloroethyl)ethanimidic acid
| Molecular Formula | C4H5Cl4NO |
|---|---|
| Molecular Weight | 222.91 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.91252 |
| Heavy Atoms | 10 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 64700-62-5 |
|---|---|
| SMILES | C(CCl)NC(=O)C(Cl)(Cl)Cl |
| InChIKey | DAZVBXJVZMFSET-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-Chloroethyl)trichloroacetamide (CAS 64700-62-5), with molecular formula C4H5Cl4NO and molecular weight 222.91 g/mol. IUPAC: 2,2,2-trichloro-N-(2-chloroethyl)acetamide.
Chemical Property Profile of N-(2-Chloroethyl)trichloroacetamide
Property Insights of N-(2-Chloroethyl)trichloroacetamide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Chloroethyl)trichloroacetamide. With a topological polar surface area (TPSA) of 29.1 Ų, N-(2-Chloroethyl)trichloroacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Chloroethyl)trichloroacetamide has 1 hydrogen bond donor(s) and 1 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 N-(2-Chloroethyl)trichloroacetamide?
The CAS number of N-(2-Chloroethyl)trichloroacetamide is 64700-62-5.
What is the molecular formula of N-(2-Chloroethyl)trichloroacetamide?
The molecular formula of N-(2-Chloroethyl)trichloroacetamide is C4H5Cl4NO.
What is the molecular weight of N-(2-Chloroethyl)trichloroacetamide?
The molecular weight of N-(2-Chloroethyl)trichloroacetamide is 222.91 g/mol.
Where can I buy N-(2-Chloroethyl)trichloroacetamide?
You can request a quote for N-(2-Chloroethyl)trichloroacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Chloroethyl)trichloroacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Chloroethyl)trichloroacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.