(2,4,6-Tribromophenyl) 4-methylbenzenesulfonate
TL;DR: (2,4,6-Tribromophenyl) 4-methylbenzenesulfonate (CAS 28221-89-8) is a chemical compound with molecular formula C13H9Br3O3S and molecular weight 481.78 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4,6-tribromophenyl) 4-methylbenzenesulfonate
Also Known As: 2,4,6-tribromo-phenol, 2,4,6-tribromophenyl 4-methylbenzene-1-sulfonate, (2,4,6-tribromophenyl) 4-methylbenzenesulfonate, BAS 00154454, Toluene-4-sulfonic acid 2,4,6-tribromo-phenyl ester
| Molecular Formula | C13H9Br3O3S |
|---|---|
| Molecular Weight | 481.78 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 481.78226 |
| Heavy Atoms | 20 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 28221-89-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Br)Br)Br |
| InChIKey | UXLDHZJHKXURKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2,4,6-Tribromophenyl) 4-methylbenzenesulfonate (CAS 28221-89-8), with molecular formula C13H9Br3O3S and molecular weight 481.78 g/mol. IUPAC: (2,4,6-tribromophenyl) 4-methylbenzenesulfonate.
Chemical Property Profile of (2,4,6-Tribromophenyl) 4-methylbenzenesulfonate
Property Insights of (2,4,6-Tribromophenyl) 4-methylbenzenesulfonate
The XLogP value of 5.5 indicates that (2,4,6-Tribromophenyl) 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, (2,4,6-Tribromophenyl) 4-methylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,4,6-Tribromophenyl) 4-methylbenzenesulfonate 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 (2,4,6-Tribromophenyl) 4-methylbenzenesulfonate?
The CAS number of (2,4,6-Tribromophenyl) 4-methylbenzenesulfonate is 28221-89-8.
What is the molecular formula of (2,4,6-Tribromophenyl) 4-methylbenzenesulfonate?
The molecular formula of (2,4,6-Tribromophenyl) 4-methylbenzenesulfonate is C13H9Br3O3S.
What is the molecular weight of (2,4,6-Tribromophenyl) 4-methylbenzenesulfonate?
The molecular weight of (2,4,6-Tribromophenyl) 4-methylbenzenesulfonate is 481.78 g/mol.
Where can I buy (2,4,6-Tribromophenyl) 4-methylbenzenesulfonate?
You can request a quote for (2,4,6-Tribromophenyl) 4-methylbenzenesulfonate 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-Tribromophenyl) 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (2,4,6-Tribromophenyl) 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.