Tri-o-cresyl phosphorothioate
TL;DR: Tri-o-cresyl phosphorothioate (CAS 631-45-8) is a chemical compound with molecular formula C21H21O3PS and molecular weight 384.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(2-methylphenoxy)-sulfanylidene-λ5-phosphane
Also Known As: Tri-o-cresyl thiophosphate, Tri-o-cresyl phosphorothioate, o-Tolyl phosphorothioate, Tri-o-tolyl phosphorothioate, Tri-o-cresyl phosphorothionate
| Molecular Formula | C21H21O3PS |
|---|---|
| Molecular Weight | 384.09 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.0949 |
| Heavy Atoms | 26 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 631-45-8 |
|---|---|
| SMILES | CC1=CC=CC=C1OP(=S)(OC2=CC=CC=C2C)OC3=CC=CC=C3C |
| InChIKey | RJDVGKCBHFINOK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tri-o-cresyl phosphorothioate (CAS 631-45-8), with molecular formula C21H21O3PS and molecular weight 384.09 g/mol. IUPAC: tris(2-methylphenoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Tri-o-cresyl phosphorothioate
Property Insights of Tri-o-cresyl phosphorothioate
The XLogP value of 7.8 indicates that Tri-o-cresyl phosphorothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.8 Ų, Tri-o-cresyl phosphorothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tri-o-cresyl phosphorothioate 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-o-cresyl phosphorothioate?
The CAS number of Tri-o-cresyl phosphorothioate is 631-45-8.
What is the molecular formula of Tri-o-cresyl phosphorothioate?
The molecular formula of Tri-o-cresyl phosphorothioate is C21H21O3PS.
What is the molecular weight of Tri-o-cresyl phosphorothioate?
The molecular weight of Tri-o-cresyl phosphorothioate is 384.09 g/mol.
Where can I buy Tri-o-cresyl phosphorothioate?
You can request a quote for Tri-o-cresyl phosphorothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tri-o-cresyl phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for Tri-o-cresyl phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.