(4-Bromophenyl) 4-methylbenzenesulfonate
TL;DR: (4-Bromophenyl) 4-methylbenzenesulfonate (CAS 822-66-2) is a chemical compound with molecular formula C13H11BrO3S and molecular weight 325.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl) 4-methylbenzenesulfonate
Also Known As: 4-bromophenyl tosylate, 4-Tosyloxy-1-bromobenzene, (4-bromophenyl) 4-methylbenzenesulfonate, 1-Bromo-4-(tosyloxy)benzene, 4-BROMOPHENYL 4-METHYLBENZENE-1-SULFONATE
| Molecular Formula | C13H11BrO3S |
|---|---|
| Molecular Weight | 325.96 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.96124 |
| Heavy Atoms | 18 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 822-66-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)Br |
| InChIKey | XXDAIEWTMDQCEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Bromophenyl) 4-methylbenzenesulfonate (CAS 822-66-2), with molecular formula C13H11BrO3S and molecular weight 325.96 g/mol. IUPAC: (4-bromophenyl) 4-methylbenzenesulfonate.
Chemical Property Profile of (4-Bromophenyl) 4-methylbenzenesulfonate
Property Insights of (4-Bromophenyl) 4-methylbenzenesulfonate
The XLogP value of 4.1 indicates that (4-Bromophenyl) 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, (4-Bromophenyl) 4-methylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Bromophenyl) 4-methylbenzenesulfonate 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 (4-Bromophenyl) 4-methylbenzenesulfonate?
The CAS number of (4-Bromophenyl) 4-methylbenzenesulfonate is 822-66-2.
What is the molecular formula of (4-Bromophenyl) 4-methylbenzenesulfonate?
The molecular formula of (4-Bromophenyl) 4-methylbenzenesulfonate is C13H11BrO3S.
What is the molecular weight of (4-Bromophenyl) 4-methylbenzenesulfonate?
The molecular weight of (4-Bromophenyl) 4-methylbenzenesulfonate is 325.96 g/mol.
Where can I buy (4-Bromophenyl) 4-methylbenzenesulfonate?
You can request a quote for (4-Bromophenyl) 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Bromophenyl) 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (4-Bromophenyl) 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.