Tri-m-cresyl phosphate
TL;DR: Tri-m-cresyl phosphate (CAS 563-04-2) is a chemical compound with molecular formula C21H21O4P and molecular weight 368.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(3-methylphenyl) phosphate
Also Known As: Tri-m-tolyl phosphate, TRI-M-CRESYL PHOSPHATE, tri-m-Tolylphosphate, Tris-m-cresyl phosphate, Tris(m-tolyl) phosphate
| Molecular Formula | C21H21O4P |
|---|---|
| Molecular Weight | 368.12 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.11774 |
| Heavy Atoms | 26 |
| Complexity | 416.0 |
| Melting Point | 77 to 26.1 °C |
| Boiling Point | 260.0 °C at 15 mmHg |
| Density | 1.15 |
| Solubility | Insoluble (NTP, 1992) |
| Flash Point | 210.0 °C |
| Vapor Pressure | 0.00000011 [mmHg] |
| Refractive Index | 1.5575 at 20 °C |
Chemical Identifiers
| CAS Number | 563-04-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OP(=O)(OC2=CC=CC(=C2)C)OC3=CC=CC(=C3)C |
| InChIKey | RMLPZKRPSQVRAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tri-m-cresyl phosphate (CAS 563-04-2), with molecular formula C21H21O4P and molecular weight 368.12 g/mol. IUPAC: tris(3-methylphenyl) phosphate.
Chemical Property Profile of Tri-m-cresyl phosphate
Property Insights of Tri-m-cresyl phosphate
The XLogP value of 6.1 indicates that Tri-m-cresyl 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, Tri-m-cresyl phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tri-m-cresyl 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 Tri-m-cresyl phosphate?
The CAS number of Tri-m-cresyl phosphate is 563-04-2.
What is the molecular formula of Tri-m-cresyl phosphate?
The molecular formula of Tri-m-cresyl phosphate is C21H21O4P.
What is the molecular weight of Tri-m-cresyl phosphate?
The molecular weight of Tri-m-cresyl phosphate is 368.12 g/mol.
Where can I buy Tri-m-cresyl phosphate?
You can request a quote for Tri-m-cresyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tri-m-cresyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for Tri-m-cresyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.