(4-Bromophenyl) benzenesulfonate
TL;DR: (4-Bromophenyl) benzenesulfonate (CAS 20443-84-9) is a chemical compound with molecular formula C12H9BrO3S and molecular weight 311.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl) benzenesulfonate
Also Known As: (4-bromophenyl) benzenesulfonate, 4-BROMOPHENYL BENZENESULFONATE, Benzenesulfonic acid, p-bromo-phenyl ester, AH-034/10866034
| Molecular Formula | C12H9BrO3S |
|---|---|
| Molecular Weight | 311.95 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.9456 |
| Heavy Atoms | 17 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 20443-84-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)Br |
| InChIKey | ZLLOEONYSHSCLI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Bromophenyl) benzenesulfonate (CAS 20443-84-9), with molecular formula C12H9BrO3S and molecular weight 311.95 g/mol. IUPAC: (4-bromophenyl) benzenesulfonate.
Chemical Property Profile of (4-Bromophenyl) benzenesulfonate
Property Insights of (4-Bromophenyl) benzenesulfonate
The XLogP value of 3.8 indicates that (4-Bromophenyl) benzenesulfonate 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) benzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Bromophenyl) benzenesulfonate 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) benzenesulfonate?
The CAS number of (4-Bromophenyl) benzenesulfonate is 20443-84-9.
What is the molecular formula of (4-Bromophenyl) benzenesulfonate?
The molecular formula of (4-Bromophenyl) benzenesulfonate is C12H9BrO3S.
What is the molecular weight of (4-Bromophenyl) benzenesulfonate?
The molecular weight of (4-Bromophenyl) benzenesulfonate is 311.95 g/mol.
Where can I buy (4-Bromophenyl) benzenesulfonate?
You can request a quote for (4-Bromophenyl) benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Bromophenyl) benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (4-Bromophenyl) benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.