Tris(2,6-dichlorophenyl) phosphate
TL;DR: Tris(2,6-dichlorophenyl) phosphate (CAS 75431-49-1) is a chemical compound with molecular formula C18H9Cl6O4P and molecular weight 529.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(2,6-dichlorophenyl) phosphate
Also Known As: Tris(2,6-dichlorophenyl) phosphate, Phenol, 2,6-dichloro-, phosphate (3:1), Phosphoric acid tris(2,6-dichlorophenyl) ester, Tris(2,6-dichlorophenyl)phosphate, LABOTEST-BB LT00455120
| Molecular Formula | C18H9Cl6O4P |
|---|---|
| Molecular Weight | 529.84 g/mol |
| LogP | 9.2519 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 529.837 |
| Heavy Atoms | 29 |
| Complexity | 910.2516 |
Chemical Identifiers
| CAS Number | 75431-49-1 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)OP(=O)(OC2=C(C=CC=C2Cl)Cl)OC3=C(C=CC=C3Cl)Cl)Cl |
Product Overview
Tris(2,6-dichlorophenyl) phosphate (CAS 75431-49-1), with molecular formula C18H9Cl6O4P and molecular weight 529.84 g/mol. IUPAC: tris(2,6-dichlorophenyl) phosphate.
Chemical Property Profile of Tris(2,6-dichlorophenyl) phosphate
Property Insights of Tris(2,6-dichlorophenyl) phosphate
The XLogP value of 9.2519 indicates that Tris(2,6-dichlorophenyl) phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, Tris(2,6-dichlorophenyl) phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tris(2,6-dichlorophenyl) phosphate 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 Tris(2,6-dichlorophenyl) phosphate?
The CAS number of Tris(2,6-dichlorophenyl) phosphate is 75431-49-1.
What is the molecular formula of Tris(2,6-dichlorophenyl) phosphate?
The molecular formula of Tris(2,6-dichlorophenyl) phosphate is C18H9Cl6O4P.
What is the molecular weight of Tris(2,6-dichlorophenyl) phosphate?
The molecular weight of Tris(2,6-dichlorophenyl) phosphate is 529.84 g/mol.
Where can I buy Tris(2,6-dichlorophenyl) phosphate?
You can request a quote for Tris(2,6-dichlorophenyl) phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tris(2,6-dichlorophenyl) phosphate?
Yes, KEHONG BIO provides custom synthesis services for Tris(2,6-dichlorophenyl) phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.