o-Cresyl phosphate
TL;DR: o-Cresyl phosphate (CAS 78-30-8) 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(2-methylphenyl) phosphate
Also Known As: Tri-o-tolyl phosphate, TRI-O-CRESYL PHOSPHATE, o-Tolyl phosphate, TOCP, TOTP
| 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 | 11 °C |
| Boiling Point | 410 °C |
| Density | 1.1955 g/cu cm at 20 °C |
| Solubility | Sparingly soluble in water |
| Flash Point | 225.0 °C ( 225 °C) (Closed cup) |
| Vapor Pressure | 0.00002 [mmHg] |
| Refractive Index | 1.5575 at 20 °C |
Chemical Identifiers
| CAS Number | 78-30-8 |
|---|---|
| SMILES | CC1=CC=CC=C1OP(=O)(OC2=CC=CC=C2C)OC3=CC=CC=C3C |
| InChIKey | YSMRWXYRXBRSND-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-Cresyl phosphate (CAS 78-30-8), with molecular formula C21H21O4P and molecular weight 368.12 g/mol. IUPAC: tris(2-methylphenyl) phosphate.
Chemical Property Profile of o-Cresyl phosphate
Property Insights of o-Cresyl phosphate
The XLogP value of 6.1 indicates that o-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, o-Cresyl phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-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 o-Cresyl phosphate?
The CAS number of o-Cresyl phosphate is 78-30-8.
What is the molecular formula of o-Cresyl phosphate?
The molecular formula of o-Cresyl phosphate is C21H21O4P.
What is the molecular weight of o-Cresyl phosphate?
The molecular weight of o-Cresyl phosphate is 368.12 g/mol.
Where can I buy o-Cresyl phosphate?
You can request a quote for o-Cresyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Cresyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for o-Cresyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.