2,4,6-Tri-p-tolyl-1,3,5,2,4,6-trioxatriborinane
TL;DR: 2,4,6-Tri-p-tolyl-1,3,5,2,4,6-trioxatriborinane (CAS 5084-80-0) is a chemical compound with molecular formula C21H21B3O3 and molecular weight 354.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-tris(4-methylphenyl)-1,3,5,2,4,6-trioxatriborinane
Also Known As: Tri-p-tolylboroxin, tri(p-tolyl)boroxine, Tris(p-tolyl)boroxin, 4-Methylphenyl boronic acid anhydride, Tris(4-methylphenyl)boroxin
| Molecular Formula | C21H21B3O3 |
|---|---|
| Molecular Weight | 354.18 g/mol |
| LogP | 2.16126 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.17697 |
| Heavy Atoms | 27 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 5084-80-0 |
|---|---|
| SMILES | B1(OB(OB(O1)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C)C4=CC=C(C=C4)C |
| InChIKey | YIAIFWGNIWYFPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-Tri-p-tolyl-1,3,5,2,4,6-trioxatriborinane (CAS 5084-80-0), with molecular formula C21H21B3O3 and molecular weight 354.18 g/mol. IUPAC: 2,4,6-tris(4-methylphenyl)-1,3,5,2,4,6-trioxatriborinane.
Chemical Property Profile of 2,4,6-Tri-p-tolyl-1,3,5,2,4,6-trioxatriborinane
Property Insights of 2,4,6-Tri-p-tolyl-1,3,5,2,4,6-trioxatriborinane
The XLogP value of 2.16126 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Tri-p-tolyl-1,3,5,2,4,6-trioxatriborinane. With a topological polar surface area (TPSA) of 27.7 Ų, 2,4,6-Tri-p-tolyl-1,3,5,2,4,6-trioxatriborinane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Tri-p-tolyl-1,3,5,2,4,6-trioxatriborinane has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4,6-Tri-p-tolyl-1,3,5,2,4,6-trioxatriborinane?
The CAS number of 2,4,6-Tri-p-tolyl-1,3,5,2,4,6-trioxatriborinane is 5084-80-0.
What is the molecular formula of 2,4,6-Tri-p-tolyl-1,3,5,2,4,6-trioxatriborinane?
The molecular formula of 2,4,6-Tri-p-tolyl-1,3,5,2,4,6-trioxatriborinane is C21H21B3O3.
What is the molecular weight of 2,4,6-Tri-p-tolyl-1,3,5,2,4,6-trioxatriborinane?
The molecular weight of 2,4,6-Tri-p-tolyl-1,3,5,2,4,6-trioxatriborinane is 354.18 g/mol.
Where can I buy 2,4,6-Tri-p-tolyl-1,3,5,2,4,6-trioxatriborinane?
You can request a quote for 2,4,6-Tri-p-tolyl-1,3,5,2,4,6-trioxatriborinane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Tri-p-tolyl-1,3,5,2,4,6-trioxatriborinane?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Tri-p-tolyl-1,3,5,2,4,6-trioxatriborinane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.