三(2,2,2-三氯乙基)磷酸酯
TL;DR: 三(2,2,2-三氯乙基)磷酸酯 (CAS 20405-30-5) is a chemical compound with molecular formula C6H6Cl9O4P and molecular weight 487.72 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三(2,2,2-三氯乙基)磷酸酯
tris(2,2,2-trichloroethyl) phosphate
Also Known As: Tris phosphate, Tris(2,2,2-trichloroethyl) phosphate, 2,2,2-Trichloroethyl phosphate, Tris(2,2,2-trichloroethyl)phosphate, tris-(2,2,2-Trichloroethyl) phosphate
| Molecular Formula | C6H6Cl9O4P |
|---|---|
| Molecular Weight | 487.72 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 491.71414 |
| Heavy Atoms | 20 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 20405-30-5 |
|---|---|
| SMILES | C(C(Cl)(Cl)Cl)OP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl |
| InChIKey | ODPLNIWRFSCKKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三(2,2,2-三氯乙基)磷酸酯 (CAS 20405-30-5), with molecular formula C6H6Cl9O4P and molecular weight 487.72 g/mol. IUPAC: tris(2,2,2-trichloroethyl) phosphate.
Chemical Property Profile of 三(2,2,2-三氯乙基)磷酸酯
Property Insights of 三(2,2,2-三氯乙基)磷酸酯
The XLogP value of 5.1 indicates that 三(2,2,2-三氯乙基)磷酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 三(2,2,2-三氯乙基)磷酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三(2,2,2-三氯乙基)磷酸酯 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 三(2,2,2-三氯乙基)磷酸酯?
The CAS number of 三(2,2,2-三氯乙基)磷酸酯 is 20405-30-5.
What is the molecular formula of 三(2,2,2-三氯乙基)磷酸酯?
The molecular formula of 三(2,2,2-三氯乙基)磷酸酯 is C6H6Cl9O4P.
What is the molecular weight of 三(2,2,2-三氯乙基)磷酸酯?
The molecular weight of 三(2,2,2-三氯乙基)磷酸酯 is 487.72 g/mol.
Where can I buy 三(2,2,2-三氯乙基)磷酸酯?
You can request a quote for 三(2,2,2-三氯乙基)磷酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三(2,2,2-三氯乙基)磷酸酯?
Yes, KEHONG BIO provides custom synthesis services for 三(2,2,2-三氯乙基)磷酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.