2,3,4,5,6-Pentafluorophenyl 4-bromo-2-chlorobenzenesulfonate
TL;DR: 2,3,4,5,6-Pentafluorophenyl 4-bromo-2-chlorobenzenesulfonate (CAS 886361-22-4) is a chemical compound with molecular formula C12H3BrClF5O3S and molecular weight 435.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentafluorophenyl) 4-bromo-2-chlorobenzenesulfonate
Also Known As: 2,3,4,5,6-Pentafluorophenyl 4-bromo-2-chlorobenzenesulfonate, 1907AF, Pentafluorophenyl 4-bromo-2-chlorobenzenesulphonate, pentafluorophenylbromochlorobenzenesulfonate, (2,3,4,5,6-pentafluorophenyl) 4-bromo-2-chlorobenzenesulfonate
| Molecular Formula | C12H3BrClF5O3S |
|---|---|
| Molecular Weight | 435.86 g/mol |
| LogP | 4.5657 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 435.8595 |
| Heavy Atoms | 23 |
| Complexity | 875.0497 |
Chemical Identifiers
| CAS Number | 886361-22-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1Br)Cl)S(=O)(=O)OC2=C(C(=C(C(=C2F)F)F)F)F |
Product Overview
2,3,4,5,6-Pentafluorophenyl 4-bromo-2-chlorobenzenesulfonate (CAS 886361-22-4), with molecular formula C12H3BrClF5O3S and molecular weight 435.86 g/mol. IUPAC: (2,3,4,5,6-pentafluorophenyl) 4-bromo-2-chlorobenzenesulfonate.
Chemical Property Profile of 2,3,4,5,6-Pentafluorophenyl 4-bromo-2-chlorobenzenesulfonate
Property Insights of 2,3,4,5,6-Pentafluorophenyl 4-bromo-2-chlorobenzenesulfonate
The XLogP value of 4.5657 indicates that 2,3,4,5,6-Pentafluorophenyl 4-bromo-2-chlorobenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 2,3,4,5,6-Pentafluorophenyl 4-bromo-2-chlorobenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,5,6-Pentafluorophenyl 4-bromo-2-chlorobenzenesulfonate 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 2,3,4,5,6-Pentafluorophenyl 4-bromo-2-chlorobenzenesulfonate?
The CAS number of 2,3,4,5,6-Pentafluorophenyl 4-bromo-2-chlorobenzenesulfonate is 886361-22-4.
What is the molecular formula of 2,3,4,5,6-Pentafluorophenyl 4-bromo-2-chlorobenzenesulfonate?
The molecular formula of 2,3,4,5,6-Pentafluorophenyl 4-bromo-2-chlorobenzenesulfonate is C12H3BrClF5O3S.
What is the molecular weight of 2,3,4,5,6-Pentafluorophenyl 4-bromo-2-chlorobenzenesulfonate?
The molecular weight of 2,3,4,5,6-Pentafluorophenyl 4-bromo-2-chlorobenzenesulfonate is 435.86 g/mol.
Where can I buy 2,3,4,5,6-Pentafluorophenyl 4-bromo-2-chlorobenzenesulfonate?
You can request a quote for 2,3,4,5,6-Pentafluorophenyl 4-bromo-2-chlorobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,5,6-Pentafluorophenyl 4-bromo-2-chlorobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5,6-Pentafluorophenyl 4-bromo-2-chlorobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.