三氯乙酰胺
TL;DR: 三氯乙酰胺 (CAS 594-65-0) is a chemical compound with molecular formula C2H2Cl3NO and molecular weight 160.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三氯乙酰胺
2,2,2-trichloroacetamide
Also Known As: Trichloroacetamide, 2,2,2-Trichloroacetamide, ACETAMIDE, 2,2,2-TRICHLORO-, trichloroacetimidate, Amid kyseliny trichloroctove
| Molecular Formula | C2H2Cl3NO |
|---|---|
| Molecular Weight | 160.92 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.9202 |
| Heavy Atoms | 7 |
| Complexity | 85.0 |
| Vapor Pressure | 0.01 [mmHg] |
Chemical Identifiers
| CAS Number | 594-65-0 |
|---|---|
| SMILES | C(=O)(C(Cl)(Cl)Cl)N |
| InChIKey | UPQQXPKAYZYUKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三氯乙酰胺 (CAS 594-65-0), with molecular formula C2H2Cl3NO and molecular weight 160.92 g/mol. IUPAC: 2,2,2-trichloroacetamide.
Chemical Property Profile of 三氯乙酰胺
Property Insights of 三氯乙酰胺
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 三氯乙酰胺. With a topological polar surface area (TPSA) of 43.1 Ų, 三氯乙酰胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三氯乙酰胺 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 三氯乙酰胺?
The CAS number of 三氯乙酰胺 is 594-65-0.
What is the molecular formula of 三氯乙酰胺?
The molecular formula of 三氯乙酰胺 is C2H2Cl3NO.
What is the molecular weight of 三氯乙酰胺?
The molecular weight of 三氯乙酰胺 is 160.92 g/mol.
Where can I buy 三氯乙酰胺?
You can request a quote for 三氯乙酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三氯乙酰胺?
Yes, KEHONG BIO provides custom synthesis services for 三氯乙酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.