磷酸三间甲苯酯
TL;DR: 磷酸三间甲苯酯 (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.
磷酸三间甲苯酯
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
磷酸三间甲苯酯 (CAS 563-04-2), with molecular formula C21H21O4P and molecular weight 368.12 g/mol. IUPAC: tris(3-methylphenyl) phosphate.
Chemical Property Profile of 磷酸三间甲苯酯
Property Insights of 磷酸三间甲苯酯
The XLogP value of 6.1 indicates that 磷酸三间甲苯酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 磷酸三间甲苯酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 磷酸三间甲苯酯 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 磷酸三间甲苯酯?
The CAS number of 磷酸三间甲苯酯 is 563-04-2.
What is the molecular formula of 磷酸三间甲苯酯?
The molecular formula of 磷酸三间甲苯酯 is C21H21O4P.
What is the molecular weight of 磷酸三间甲苯酯?
The molecular weight of 磷酸三间甲苯酯 is 368.12 g/mol.
Where can I buy 磷酸三间甲苯酯?
You can request a quote for 磷酸三间甲苯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 磷酸三间甲苯酯?
Yes, KEHONG BIO provides custom synthesis services for 磷酸三间甲苯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.