2,4-Dichlorophenyl 4-bromobenzenesulfonate
TL;DR: 2,4-Dichlorophenyl 4-bromobenzenesulfonate (CAS 104996-92-1) is a chemical compound with molecular formula C12H7BrCl2O3S and molecular weight 379.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dichlorophenyl) 4-bromobenzenesulfonate
Also Known As: 2,4-dichlorophenyl 4-bromobenzenesulfonate, (2,4-dichlorophenyl) 4-bromobenzenesulfonate, 4-bromo-benzenesulfonic acid-(2,4-dichloro-phenyl ester)
| Molecular Formula | C12H7BrCl2O3S |
|---|---|
| Molecular Weight | 379.87 g/mol |
| LogP | 4.5236 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.8676 |
| Heavy Atoms | 19 |
| Complexity | 699.4145 |
Chemical Identifiers
| CAS Number | 104996-92-1 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)(=O)OC2=C(C=C(C=C2)Cl)Cl)Br |
Product Overview
2,4-Dichlorophenyl 4-bromobenzenesulfonate (CAS 104996-92-1), with molecular formula C12H7BrCl2O3S and molecular weight 379.87 g/mol. IUPAC: (2,4-dichlorophenyl) 4-bromobenzenesulfonate.
Chemical Property Profile of 2,4-Dichlorophenyl 4-bromobenzenesulfonate
Property Insights of 2,4-Dichlorophenyl 4-bromobenzenesulfonate
The XLogP value of 4.5236 indicates that 2,4-Dichlorophenyl 4-bromobenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 2,4-Dichlorophenyl 4-bromobenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dichlorophenyl 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 2,4-Dichlorophenyl 4-bromobenzenesulfonate?
The CAS number of 2,4-Dichlorophenyl 4-bromobenzenesulfonate is 104996-92-1.
What is the molecular formula of 2,4-Dichlorophenyl 4-bromobenzenesulfonate?
The molecular formula of 2,4-Dichlorophenyl 4-bromobenzenesulfonate is C12H7BrCl2O3S.
What is the molecular weight of 2,4-Dichlorophenyl 4-bromobenzenesulfonate?
The molecular weight of 2,4-Dichlorophenyl 4-bromobenzenesulfonate is 379.87 g/mol.
Where can I buy 2,4-Dichlorophenyl 4-bromobenzenesulfonate?
You can request a quote for 2,4-Dichlorophenyl 4-bromobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dichlorophenyl 4-bromobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dichlorophenyl 4-bromobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.