2-Chlorophenyl 4-bromobenzenesulfonate
TL;DR: 2-Chlorophenyl 4-bromobenzenesulfonate (CAS 7463-27-6) is a chemical compound with molecular formula C12H8BrClO3S and molecular weight 345.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chlorophenyl) 4-bromobenzenesulfonate
Also Known As: 2-chlorophenyl 4-bromobenzenesulfonate, 2-chlorophenyl 4-bromobenzene-1-sulfonate, (2-chlorophenyl) 4-bromobenzenesulfonate, (2-chlorophenyl)4-bromobenzenesulfonate
| Molecular Formula | C12H8BrClO3S |
|---|---|
| Molecular Weight | 345.91 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.90662 |
| Heavy Atoms | 18 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 7463-27-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)Br)Cl |
| InChIKey | DTYPPUSLCMZNDN-UHFFFAOYSA-N |
Product Overview
2-Chlorophenyl 4-bromobenzenesulfonate (CAS 7463-27-6), with molecular formula C12H8BrClO3S and molecular weight 345.91 g/mol. IUPAC: (2-chlorophenyl) 4-bromobenzenesulfonate.
Chemical Property Profile of 2-Chlorophenyl 4-bromobenzenesulfonate
Property Insights of 2-Chlorophenyl 4-bromobenzenesulfonate
The XLogP value of 4.3 indicates that 2-Chlorophenyl 4-bromobenzenesulfonate 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-Chlorophenyl 4-bromobenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chlorophenyl 4-bromobenzenesulfonate 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-Chlorophenyl 4-bromobenzenesulfonate?
The CAS number of 2-Chlorophenyl 4-bromobenzenesulfonate is 7463-27-6.
What is the molecular formula of 2-Chlorophenyl 4-bromobenzenesulfonate?
The molecular formula of 2-Chlorophenyl 4-bromobenzenesulfonate is C12H8BrClO3S.
What is the molecular weight of 2-Chlorophenyl 4-bromobenzenesulfonate?
The molecular weight of 2-Chlorophenyl 4-bromobenzenesulfonate is 345.91 g/mol.
Where can I buy 2-Chlorophenyl 4-bromobenzenesulfonate?
You can request a quote for 2-Chlorophenyl 4-bromobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chlorophenyl 4-bromobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chlorophenyl 4-bromobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.