N-(2,2,2-三氯-1-羟乙基)氨基甲酸乙酯
TL;DR: N-(2,2,2-三氯-1-羟乙基)氨基甲酸乙酯 (CAS 541-79-7) is a chemical compound with molecular formula C5H8Cl3NO3 and molecular weight 234.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,2,2-三氯-1-羟乙基)氨基甲酸乙酯
ethyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate
Also Known As: Carbocloral, Carbochloral, Prodorm, Chloralurethane, Ural
| Molecular Formula | C5H8Cl3NO3 |
|---|---|
| Molecular Weight | 234.96 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.95697 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 541-79-7 |
|---|---|
| SMILES | CCOC(=O)NC(C(Cl)(Cl)Cl)O |
| InChIKey | ITMSAWKLJVGBIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2,2,2-三氯-1-羟乙基)氨基甲酸乙酯 (CAS 541-79-7), with molecular formula C5H8Cl3NO3 and molecular weight 234.96 g/mol. IUPAC: ethyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate.
Chemical Property Profile of N-(2,2,2-三氯-1-羟乙基)氨基甲酸乙酯
Property Insights of N-(2,2,2-三氯-1-羟乙基)氨基甲酸乙酯
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,2,2-三氯-1-羟乙基)氨基甲酸乙酯. With a topological polar surface area (TPSA) of 58.6 Ų, N-(2,2,2-三氯-1-羟乙基)氨基甲酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,2,2-三氯-1-羟乙基)氨基甲酸乙酯 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 N-(2,2,2-三氯-1-羟乙基)氨基甲酸乙酯?
The CAS number of N-(2,2,2-三氯-1-羟乙基)氨基甲酸乙酯 is 541-79-7.
What is the molecular formula of N-(2,2,2-三氯-1-羟乙基)氨基甲酸乙酯?
The molecular formula of N-(2,2,2-三氯-1-羟乙基)氨基甲酸乙酯 is C5H8Cl3NO3.
What is the molecular weight of N-(2,2,2-三氯-1-羟乙基)氨基甲酸乙酯?
The molecular weight of N-(2,2,2-三氯-1-羟乙基)氨基甲酸乙酯 is 234.96 g/mol.
Where can I buy N-(2,2,2-三氯-1-羟乙基)氨基甲酸乙酯?
You can request a quote for N-(2,2,2-三氯-1-羟乙基)氨基甲酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,2,2-三氯-1-羟乙基)氨基甲酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for N-(2,2,2-三氯-1-羟乙基)氨基甲酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.