Tris(4-bromophenyl)boroxin
TL;DR: Tris(4-bromophenyl)boroxin (CAS 7519-94-0) is a chemical compound with molecular formula C18H12B3Br3O3 and molecular weight 545.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-tris(4-bromophenyl)-1,3,5,2,4,6-trioxatriborinane
Also Known As: Tris(4-bromophenyl)boroxin, Boroxin, tris(4-bromophenyl)-, tri(p-bromophenyl)boroxine, 2,4,6-Tris(4-bromophenyl)boroxin, 2,4,6-Tris(4-bromophenyl)boroxin #
| Molecular Formula | C18H12B3Br3O3 |
|---|---|
| Molecular Weight | 545.86 g/mol |
| LogP | 3.5235 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 545.8616 |
| Heavy Atoms | 27 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 7519-94-0 |
|---|---|
| SMILES | B1(OB(OB(O1)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br |
| InChIKey | JDZJXNSPOYLYEV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tris(4-bromophenyl)boroxin (CAS 7519-94-0), with molecular formula C18H12B3Br3O3 and molecular weight 545.86 g/mol. IUPAC: 2,4,6-tris(4-bromophenyl)-1,3,5,2,4,6-trioxatriborinane.
Chemical Property Profile of Tris(4-bromophenyl)boroxin
Property Insights of Tris(4-bromophenyl)boroxin
The XLogP value of 3.5235 indicates that Tris(4-bromophenyl)boroxin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, Tris(4-bromophenyl)boroxin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tris(4-bromophenyl)boroxin has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tris(4-bromophenyl)boroxin?
The CAS number of Tris(4-bromophenyl)boroxin is 7519-94-0.
What is the molecular formula of Tris(4-bromophenyl)boroxin?
The molecular formula of Tris(4-bromophenyl)boroxin is C18H12B3Br3O3.
What is the molecular weight of Tris(4-bromophenyl)boroxin?
The molecular weight of Tris(4-bromophenyl)boroxin is 545.86 g/mol.
Where can I buy Tris(4-bromophenyl)boroxin?
You can request a quote for Tris(4-bromophenyl)boroxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tris(4-bromophenyl)boroxin?
Yes, KEHONG BIO provides custom synthesis services for Tris(4-bromophenyl)boroxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.