磷酸三(3,5-二甲苯)酯
TL;DR: 磷酸三(3,5-二甲苯)酯 (CAS 25653-16-1) is a chemical compound with molecular formula C24H27O4P and molecular weight 410.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
磷酸三(3,5-二甲苯)酯
tris(3,5-dimethylphenyl) phosphate
Also Known As: TRIXYLYL PHOSPHATE, tris(3,5-dimethylphenyl) phosphate, Tris phosphate, TRIS(3,5-XYLENYL)PHOSPHATE, Tris(3,5-xylyl) phosphate
| Molecular Formula | C24H27O4P |
|---|---|
| Molecular Weight | 410.16 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.1647 |
| Heavy Atoms | 29 |
| Complexity | 461.0 |
| Melting Point | 46 °C |
| Boiling Point | 290 °C at 10 mm Hg |
| Density | Inflammable; pour point= -60 °C; density= 1.14 kg/l /Trixylyl phosphate/ |
| Solubility | Sol in acetic acid |
| Vapor Pressure | 0.00000002 [mmHg] |
Chemical Identifiers
| CAS Number | 25653-16-1 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OP(=O)(OC2=CC(=CC(=C2)C)C)OC3=CC(=CC(=C3)C)C)C |
| InChIKey | LLPMAOBOEQFPRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
磷酸三(3,5-二甲苯)酯 (CAS 25653-16-1), with molecular formula C24H27O4P and molecular weight 410.16 g/mol. IUPAC: tris(3,5-dimethylphenyl) phosphate.
Chemical Property Profile of 磷酸三(3,5-二甲苯)酯
Property Insights of 磷酸三(3,5-二甲苯)酯
The XLogP value of 7.2 indicates that 磷酸三(3,5-二甲苯)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, 磷酸三(3,5-二甲苯)酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 磷酸三(3,5-二甲苯)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 磷酸三(3,5-二甲苯)酯?
The CAS number of 磷酸三(3,5-二甲苯)酯 is 25653-16-1.
What is the molecular formula of 磷酸三(3,5-二甲苯)酯?
The molecular formula of 磷酸三(3,5-二甲苯)酯 is C24H27O4P.
What is the molecular weight of 磷酸三(3,5-二甲苯)酯?
The molecular weight of 磷酸三(3,5-二甲苯)酯 is 410.16 g/mol.
Where can I buy 磷酸三(3,5-二甲苯)酯?
You can request a quote for 磷酸三(3,5-二甲苯)酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 磷酸三(3,5-二甲苯)酯?
Yes, KEHONG BIO provides custom synthesis services for 磷酸三(3,5-二甲苯)酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.