2,3,4,5,6-Pentafluorophenyl 1-ethanesulfonate
TL;DR: 2,3,4,5,6-Pentafluorophenyl 1-ethanesulfonate (CAS 597553-60-1) is a chemical compound with molecular formula C8H5F5O3S and molecular weight 275.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentafluorophenyl) ethanesulfonate
Also Known As: 2,3,4,5,6-Pentafluorophenyl 1-ethanesulfonate, Pentafluorophenyl ethanesulphonate, Perfluorophenyl ethanesulfonate, pentafluorophenyl ethanesulfonate, Perfluorophenylethanesulfonate
| Molecular Formula | C8H5F5O3S |
|---|---|
| Molecular Weight | 275.99 g/mol |
| LogP | 2.1106 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.98795 |
| Heavy Atoms | 17 |
| Complexity | 525.76447 |
Chemical Identifiers
| CAS Number | 597553-60-1 |
|---|---|
| SMILES | CCS(=O)(=O)OC1=C(C(=C(C(=C1F)F)F)F)F |
Product Overview
2,3,4,5,6-Pentafluorophenyl 1-ethanesulfonate (CAS 597553-60-1), with molecular formula C8H5F5O3S and molecular weight 275.99 g/mol. IUPAC: (2,3,4,5,6-pentafluorophenyl) ethanesulfonate.
Chemical Property Profile of 2,3,4,5,6-Pentafluorophenyl 1-ethanesulfonate
Property Insights of 2,3,4,5,6-Pentafluorophenyl 1-ethanesulfonate
The XLogP value of 2.1106 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4,5,6-Pentafluorophenyl 1-ethanesulfonate. With a topological polar surface area (TPSA) of 43.37 Ų, 2,3,4,5,6-Pentafluorophenyl 1-ethanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,5,6-Pentafluorophenyl 1-ethanesulfonate 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 1-ethanesulfonate?
The CAS number of 2,3,4,5,6-Pentafluorophenyl 1-ethanesulfonate is 597553-60-1.
What is the molecular formula of 2,3,4,5,6-Pentafluorophenyl 1-ethanesulfonate?
The molecular formula of 2,3,4,5,6-Pentafluorophenyl 1-ethanesulfonate is C8H5F5O3S.
What is the molecular weight of 2,3,4,5,6-Pentafluorophenyl 1-ethanesulfonate?
The molecular weight of 2,3,4,5,6-Pentafluorophenyl 1-ethanesulfonate is 275.99 g/mol.
Where can I buy 2,3,4,5,6-Pentafluorophenyl 1-ethanesulfonate?
You can request a quote for 2,3,4,5,6-Pentafluorophenyl 1-ethanesulfonate 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 1-ethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5,6-Pentafluorophenyl 1-ethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.