Phenol, 4-(methylthio)-, phosphite (3:1)
TL;DR: Phenol, 4-(methylthio)-, phosphite (3:1) (CAS 26077-38-3) is a chemical compound with molecular formula C21H21O3PS3 and molecular weight 448.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(4-methylsulfanylphenyl) phosphite
Also Known As: 2-oxo-1-cyclohexanecarboxamide, tris(4-methylsulfanylphenyl) phosphite, tris[4-(methylsulfanyl)phenyl] phosphite, Phenol, 4-(methylthio)-, phosphite (3:1), Tris(4-methylsulfanylphenoxy)phosphane
| Molecular Formula | C21H21O3PS3 |
|---|---|
| Molecular Weight | 448.04 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 448.03903 |
| Heavy Atoms | 28 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 26077-38-3 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)OP(OC2=CC=C(C=C2)SC)OC3=CC=C(C=C3)SC |
| InChIKey | ZQKUPMBUKWVNJW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenol, 4-(methylthio)-, phosphite (3:1) (CAS 26077-38-3), with molecular formula C21H21O3PS3 and molecular weight 448.04 g/mol. IUPAC: tris(4-methylsulfanylphenyl) phosphite.
Chemical Property Profile of Phenol, 4-(methylthio)-, phosphite (3:1)
Property Insights of Phenol, 4-(methylthio)-, phosphite (3:1)
The XLogP value of 7.1 indicates that Phenol, 4-(methylthio)-, phosphite (3:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenol, 4-(methylthio)-, phosphite (3:1). Following Lipinski's Rule of Five, Phenol, 4-(methylthio)-, phosphite (3:1) has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenol, 4-(methylthio)-, phosphite (3:1)?
The CAS number of Phenol, 4-(methylthio)-, phosphite (3:1) is 26077-38-3.
What is the molecular formula of Phenol, 4-(methylthio)-, phosphite (3:1)?
The molecular formula of Phenol, 4-(methylthio)-, phosphite (3:1) is C21H21O3PS3.
What is the molecular weight of Phenol, 4-(methylthio)-, phosphite (3:1)?
The molecular weight of Phenol, 4-(methylthio)-, phosphite (3:1) is 448.04 g/mol.
Where can I buy Phenol, 4-(methylthio)-, phosphite (3:1)?
You can request a quote for Phenol, 4-(methylthio)-, phosphite (3:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 4-(methylthio)-, phosphite (3:1)?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 4-(methylthio)-, phosphite (3:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.