Tris(3,5,5-trimethylhexyl) phosphate
TL;DR: Tris(3,5,5-trimethylhexyl) phosphate (CAS 72386-53-9) is a chemical compound with molecular formula C27H57O4P and molecular weight 476.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(3,5,5-trimethylhexyl) phosphate
Also Known As: Tris(3,5,5-trimethylhexyl) phosphate, EINECS 276-626-5, 1-Hexanol, 3,5,5-trimethyl-, phosphate (3:1), Phosphoric acid tris(3,5,5-trimethylhexyl) ester, 1-Hexanol,3,5,5-trimethyl-, phosphate (3:1) (9CI)
| Molecular Formula | C27H57O4P |
|---|---|
| Molecular Weight | 476.40 g/mol |
| LogP | 9.5315 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 476.39944 |
| Heavy Atoms | 32 |
| Complexity | 463.25208 |
Chemical Identifiers
| CAS Number | 72386-53-9 |
|---|---|
| SMILES | CC(CCOP(=O)(OCCC(C)CC(C)(C)C)OCCC(C)CC(C)(C)C)CC(C)(C)C |
Product Overview
Tris(3,5,5-trimethylhexyl) phosphate (CAS 72386-53-9), with molecular formula C27H57O4P and molecular weight 476.40 g/mol. IUPAC: tris(3,5,5-trimethylhexyl) phosphate.
Chemical Property Profile of Tris(3,5,5-trimethylhexyl) phosphate
Property Insights of Tris(3,5,5-trimethylhexyl) phosphate
The XLogP value of 9.5315 indicates that Tris(3,5,5-trimethylhexyl) 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(3,5,5-trimethylhexyl) phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tris(3,5,5-trimethylhexyl) 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(3,5,5-trimethylhexyl) phosphate?
The CAS number of Tris(3,5,5-trimethylhexyl) phosphate is 72386-53-9.
What is the molecular formula of Tris(3,5,5-trimethylhexyl) phosphate?
The molecular formula of Tris(3,5,5-trimethylhexyl) phosphate is C27H57O4P.
What is the molecular weight of Tris(3,5,5-trimethylhexyl) phosphate?
The molecular weight of Tris(3,5,5-trimethylhexyl) phosphate is 476.40 g/mol.
Where can I buy Tris(3,5,5-trimethylhexyl) phosphate?
You can request a quote for Tris(3,5,5-trimethylhexyl) phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tris(3,5,5-trimethylhexyl) phosphate?
Yes, KEHONG BIO provides custom synthesis services for Tris(3,5,5-trimethylhexyl) phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.