(2-氯乙基)氨基甲酸-2,2,2-三氯乙酯
TL;DR: (2-氯乙基)氨基甲酸-2,2,2-三氯乙酯 (CAS 65303-68-6) is a chemical compound with molecular formula C5H7Cl4NO2 and molecular weight 252.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-氯乙基)氨基甲酸-2,2,2-三氯乙酯
2,2,2-trichloroethyl N-(2-chloroethyl)carbamate
Also Known As: 2,2,2-Trichloroethyl (2-chloroethyl)carbamate, 2,2,2-trichloroethyl N-(2-chloroethyl)carbamate, beta,beta,beta-trichloroethyl N-(2-chloroethyl)carbamate
| Molecular Formula | C5H7Cl4NO2 |
|---|---|
| Molecular Weight | 252.92 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.9231 |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 65303-68-6 |
|---|---|
| SMILES | C(CCl)NC(=O)OCC(Cl)(Cl)Cl |
| InChIKey | PSPMRXUEKKHJGH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-氯乙基)氨基甲酸-2,2,2-三氯乙酯 (CAS 65303-68-6), with molecular formula C5H7Cl4NO2 and molecular weight 252.92 g/mol. IUPAC: 2,2,2-trichloroethyl N-(2-chloroethyl)carbamate.
Chemical Property Profile of (2-氯乙基)氨基甲酸-2,2,2-三氯乙酯
Property Insights of (2-氯乙基)氨基甲酸-2,2,2-三氯乙酯
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-氯乙基)氨基甲酸-2,2,2-三氯乙酯. With a topological polar surface area (TPSA) of 38.3 Ų, (2-氯乙基)氨基甲酸-2,2,2-三氯乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-氯乙基)氨基甲酸-2,2,2-三氯乙酯 has 1 hydrogen bond donor(s) and 2 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-氯乙基)氨基甲酸-2,2,2-三氯乙酯?
The CAS number of (2-氯乙基)氨基甲酸-2,2,2-三氯乙酯 is 65303-68-6.
What is the molecular formula of (2-氯乙基)氨基甲酸-2,2,2-三氯乙酯?
The molecular formula of (2-氯乙基)氨基甲酸-2,2,2-三氯乙酯 is C5H7Cl4NO2.
What is the molecular weight of (2-氯乙基)氨基甲酸-2,2,2-三氯乙酯?
The molecular weight of (2-氯乙基)氨基甲酸-2,2,2-三氯乙酯 is 252.92 g/mol.
Where can I buy (2-氯乙基)氨基甲酸-2,2,2-三氯乙酯?
You can request a quote for (2-氯乙基)氨基甲酸-2,2,2-三氯乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-氯乙基)氨基甲酸-2,2,2-三氯乙酯?
Yes, KEHONG BIO provides custom synthesis services for (2-氯乙基)氨基甲酸-2,2,2-三氯乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.