Pentafluorophenyl 2-bromo-benzenesulfonate
TL;DR: Pentafluorophenyl 2-bromo-benzenesulfonate (CAS 886502-99-4) is a chemical compound with molecular formula C12H4BrF5O3S and molecular weight 401.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentafluorophenyl) 2-bromobenzenesulfonate
Also Known As: Pentafluorophenyl 2-bromo-benzenesulfonate, (2,3,4,5,6-pentafluorophenyl) 2-bromobenzenesulfonate, Pentafluorophenyl 2-bromobenzene-1-sulfonate, 2,3,4,5,6-pentafluorophenyl 2-bromobenzenesulfonate
| Molecular Formula | C12H4BrF5O3S |
|---|---|
| Molecular Weight | 401.90 g/mol |
| LogP | 3.9123 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.89847 |
| Heavy Atoms | 22 |
| Complexity | 825.0756 |
Chemical Identifiers
| CAS Number | 886502-99-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)S(=O)(=O)OC2=C(C(=C(C(=C2F)F)F)F)F)Br |
Product Overview
Pentafluorophenyl 2-bromo-benzenesulfonate (CAS 886502-99-4), with molecular formula C12H4BrF5O3S and molecular weight 401.90 g/mol. IUPAC: (2,3,4,5,6-pentafluorophenyl) 2-bromobenzenesulfonate.
Chemical Property Profile of Pentafluorophenyl 2-bromo-benzenesulfonate
Property Insights of Pentafluorophenyl 2-bromo-benzenesulfonate
The XLogP value of 3.9123 indicates that Pentafluorophenyl 2-bromo-benzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, Pentafluorophenyl 2-bromo-benzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentafluorophenyl 2-bromo-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 Pentafluorophenyl 2-bromo-benzenesulfonate?
The CAS number of Pentafluorophenyl 2-bromo-benzenesulfonate is 886502-99-4.
What is the molecular formula of Pentafluorophenyl 2-bromo-benzenesulfonate?
The molecular formula of Pentafluorophenyl 2-bromo-benzenesulfonate is C12H4BrF5O3S.
What is the molecular weight of Pentafluorophenyl 2-bromo-benzenesulfonate?
The molecular weight of Pentafluorophenyl 2-bromo-benzenesulfonate is 401.90 g/mol.
Where can I buy Pentafluorophenyl 2-bromo-benzenesulfonate?
You can request a quote for Pentafluorophenyl 2-bromo-benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentafluorophenyl 2-bromo-benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Pentafluorophenyl 2-bromo-benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.