2,2,2-三氯乙基碳酸酯
TL;DR: 2,2,2-三氯乙基碳酸酯 (CAS 5634-37-7) is a chemical compound with molecular formula C5H4Cl6O3 and molecular weight 321.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-三氯乙基碳酸酯
bis(2,2,2-trichloroethyl) carbonate
Also Known As: Clorethate, Cloretate, Chlorethate, Cloretat, Cloretato
| Molecular Formula | C5H4Cl6O3 |
|---|---|
| Molecular Weight | 321.83 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.8262 |
| Heavy Atoms | 14 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 5634-37-7 |
|---|---|
| SMILES | C(C(Cl)(Cl)Cl)OC(=O)OCC(Cl)(Cl)Cl |
| InChIKey | IEPBPSSCIZTJIF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,2-三氯乙基碳酸酯 (CAS 5634-37-7), with molecular formula C5H4Cl6O3 and molecular weight 321.83 g/mol. IUPAC: bis(2,2,2-trichloroethyl) carbonate.
Chemical Property Profile of 2,2,2-三氯乙基碳酸酯
Property Insights of 2,2,2-三氯乙基碳酸酯
The XLogP value of 4.2 indicates that 2,2,2-三氯乙基碳酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 2,2,2-三氯乙基碳酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-三氯乙基碳酸酯 has 0 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 2,2,2-三氯乙基碳酸酯?
The CAS number of 2,2,2-三氯乙基碳酸酯 is 5634-37-7.
What is the molecular formula of 2,2,2-三氯乙基碳酸酯?
The molecular formula of 2,2,2-三氯乙基碳酸酯 is C5H4Cl6O3.
What is the molecular weight of 2,2,2-三氯乙基碳酸酯?
The molecular weight of 2,2,2-三氯乙基碳酸酯 is 321.83 g/mol.
Where can I buy 2,2,2-三氯乙基碳酸酯?
You can request a quote for 2,2,2-三氯乙基碳酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-三氯乙基碳酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-三氯乙基碳酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.