2,3,4,5,6-Pentafluorophenyl 4-bromobenzenesulfonate
TL;DR: 2,3,4,5,6-Pentafluorophenyl 4-bromobenzenesulfonate (CAS 848649-38-7) 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) 4-bromobenzenesulfonate
Also Known As: 2,3,4,5,6-Pentafluorophenyl 4-bromobenzenesulfonate, Perfluorophenyl 4-bromobenzenesulfonate, pentafluorophenylbromobenzenesulfonate, 0543AF, Perfluorophenyl4-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 | 807.8256 |
Chemical Identifiers
| CAS Number | 848649-38-7 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)(=O)OC2=C(C(=C(C(=C2F)F)F)F)F)Br |
Product Overview
2,3,4,5,6-Pentafluorophenyl 4-bromobenzenesulfonate (CAS 848649-38-7), with molecular formula C12H4BrF5O3S and molecular weight 401.90 g/mol. IUPAC: (2,3,4,5,6-pentafluorophenyl) 4-bromobenzenesulfonate.
Chemical Property Profile of 2,3,4,5,6-Pentafluorophenyl 4-bromobenzenesulfonate
Property Insights of 2,3,4,5,6-Pentafluorophenyl 4-bromobenzenesulfonate
The XLogP value of 3.9123 indicates that 2,3,4,5,6-Pentafluorophenyl 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, 2,3,4,5,6-Pentafluorophenyl 4-bromobenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,5,6-Pentafluorophenyl 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 2,3,4,5,6-Pentafluorophenyl 4-bromobenzenesulfonate?
The CAS number of 2,3,4,5,6-Pentafluorophenyl 4-bromobenzenesulfonate is 848649-38-7.
What is the molecular formula of 2,3,4,5,6-Pentafluorophenyl 4-bromobenzenesulfonate?
The molecular formula of 2,3,4,5,6-Pentafluorophenyl 4-bromobenzenesulfonate is C12H4BrF5O3S.
What is the molecular weight of 2,3,4,5,6-Pentafluorophenyl 4-bromobenzenesulfonate?
The molecular weight of 2,3,4,5,6-Pentafluorophenyl 4-bromobenzenesulfonate is 401.90 g/mol.
Where can I buy 2,3,4,5,6-Pentafluorophenyl 4-bromobenzenesulfonate?
You can request a quote for 2,3,4,5,6-Pentafluorophenyl 4-bromobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,5,6-Pentafluorophenyl 4-bromobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5,6-Pentafluorophenyl 4-bromobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.