2-Bromophenyl benzenesulfonate
TL;DR: 2-Bromophenyl benzenesulfonate (CAS 41480-10-8) 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.
(2-bromophenyl) benzenesulfonate
Also Known As: 2-bromophenyl benzenesulfonate, (2-bromophenyl) benzenesulfonate, Benzolsulfonsaeure-(2-brom-phenylester)
| 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 | 330.0 |
Chemical Identifiers
| CAS Number | 41480-10-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2Br |
| InChIKey | OAILHIDJWLPOJQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromophenyl benzenesulfonate (CAS 41480-10-8), with molecular formula C12H9BrO3S and molecular weight 311.95 g/mol. IUPAC: (2-bromophenyl) benzenesulfonate.
Chemical Property Profile of 2-Bromophenyl benzenesulfonate
Property Insights of 2-Bromophenyl benzenesulfonate
The XLogP value of 3.8 indicates that 2-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, 2-Bromophenyl benzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-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 2-Bromophenyl benzenesulfonate?
The CAS number of 2-Bromophenyl benzenesulfonate is 41480-10-8.
What is the molecular formula of 2-Bromophenyl benzenesulfonate?
The molecular formula of 2-Bromophenyl benzenesulfonate is C12H9BrO3S.
What is the molecular weight of 2-Bromophenyl benzenesulfonate?
The molecular weight of 2-Bromophenyl benzenesulfonate is 311.95 g/mol.
Where can I buy 2-Bromophenyl benzenesulfonate?
You can request a quote for 2-Bromophenyl benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromophenyl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromophenyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.