Phenol, 2,4,6-trimethyl-, 1,1',1''-phosphate
TL;DR: Phenol, 2,4,6-trimethyl-, 1,1',1''-phosphate (CAS 56444-79-2) is a chemical compound with molecular formula C27H33O4P and molecular weight 452.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(2,4,6-trimethylphenyl) phosphate
Also Known As: Tri(2,4,6-trimethylphenyl) phosphate, tris(2,4,6-trimethylphenyl) phosphate, Phenol, 2,4,6-trimethyl-, phosphate (3:1), Phenol, 2,4,6-trimethyl-, 1,1',1''-phosphate, 2-bis phosphoryloxy-1,3,5-trimethyl-benzene
| Molecular Formula | C27H33O4P |
|---|---|
| Molecular Weight | 452.21 g/mol |
| LogP | 8.2 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.21164 |
| Heavy Atoms | 32 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 56444-79-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)OP(=O)(OC2=C(C=C(C=C2C)C)C)OC3=C(C=C(C=C3C)C)C)C |
| InChIKey | CKXVSWMYIMDMPY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenol, 2,4,6-trimethyl-, 1,1',1''-phosphate (CAS 56444-79-2), with molecular formula C27H33O4P and molecular weight 452.21 g/mol. IUPAC: tris(2,4,6-trimethylphenyl) phosphate.
Chemical Property Profile of Phenol, 2,4,6-trimethyl-, 1,1',1''-phosphate
Property Insights of Phenol, 2,4,6-trimethyl-, 1,1',1''-phosphate
The XLogP value of 8.2 indicates that Phenol, 2,4,6-trimethyl-, 1,1',1''-phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Phenol, 2,4,6-trimethyl-, 1,1',1''-phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 2,4,6-trimethyl-, 1,1',1''-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 Phenol, 2,4,6-trimethyl-, 1,1',1''-phosphate?
The CAS number of Phenol, 2,4,6-trimethyl-, 1,1',1''-phosphate is 56444-79-2.
What is the molecular formula of Phenol, 2,4,6-trimethyl-, 1,1',1''-phosphate?
The molecular formula of Phenol, 2,4,6-trimethyl-, 1,1',1''-phosphate is C27H33O4P.
What is the molecular weight of Phenol, 2,4,6-trimethyl-, 1,1',1''-phosphate?
The molecular weight of Phenol, 2,4,6-trimethyl-, 1,1',1''-phosphate is 452.21 g/mol.
Where can I buy Phenol, 2,4,6-trimethyl-, 1,1',1''-phosphate?
You can request a quote for Phenol, 2,4,6-trimethyl-, 1,1',1''-phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 2,4,6-trimethyl-, 1,1',1''-phosphate?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 2,4,6-trimethyl-, 1,1',1''-phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.