2,3,4,5,6-Pentafluorophenyl 3-nitrobenzenesulfonate
TL;DR: 2,3,4,5,6-Pentafluorophenyl 3-nitrobenzenesulfonate (CAS 663175-93-7) is a chemical compound with molecular formula C12H4F5NO5S and molecular weight 368.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentafluorophenyl) 3-nitrobenzenesulfonate
Also Known As: 2,3,4,5,6-Pentafluorophenyl 3-nitrobenzenesulfonate, Perfluorophenyl 3-nitrobenzenesulfonate, 2,3,4,5,6-pentafluorophenyl 3-nitrobenzenesulphonate, pentafluorophenyl 3-nitrobenzenesulfonate, 2,3,4,5,6-PENTAFLUOROPHENYL3-NITROBENZENESULFONATE
| Molecular Formula | C12H4F5NO5S |
|---|---|
| Molecular Weight | 368.97 g/mol |
| LogP | 3.058 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.97302 |
| Heavy Atoms | 24 |
| Complexity | 918.09015 |
Chemical Identifiers
| CAS Number | 663175-93-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)OC2=C(C(=C(C(=C2F)F)F)F)F)[N+](=O)[O-] |
Product Overview
2,3,4,5,6-Pentafluorophenyl 3-nitrobenzenesulfonate (CAS 663175-93-7), with molecular formula C12H4F5NO5S and molecular weight 368.97 g/mol. IUPAC: (2,3,4,5,6-pentafluorophenyl) 3-nitrobenzenesulfonate.
Chemical Property Profile of 2,3,4,5,6-Pentafluorophenyl 3-nitrobenzenesulfonate
Property Insights of 2,3,4,5,6-Pentafluorophenyl 3-nitrobenzenesulfonate
The XLogP value of 3.058 indicates that 2,3,4,5,6-Pentafluorophenyl 3-nitrobenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,4,5,6-Pentafluorophenyl 3-nitrobenzenesulfonate. Following Lipinski's Rule of Five, 2,3,4,5,6-Pentafluorophenyl 3-nitrobenzenesulfonate has 0 hydrogen bond donor(s) and 5 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 3-nitrobenzenesulfonate?
The CAS number of 2,3,4,5,6-Pentafluorophenyl 3-nitrobenzenesulfonate is 663175-93-7.
What is the molecular formula of 2,3,4,5,6-Pentafluorophenyl 3-nitrobenzenesulfonate?
The molecular formula of 2,3,4,5,6-Pentafluorophenyl 3-nitrobenzenesulfonate is C12H4F5NO5S.
What is the molecular weight of 2,3,4,5,6-Pentafluorophenyl 3-nitrobenzenesulfonate?
The molecular weight of 2,3,4,5,6-Pentafluorophenyl 3-nitrobenzenesulfonate is 368.97 g/mol.
Where can I buy 2,3,4,5,6-Pentafluorophenyl 3-nitrobenzenesulfonate?
You can request a quote for 2,3,4,5,6-Pentafluorophenyl 3-nitrobenzenesulfonate 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 3-nitrobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5,6-Pentafluorophenyl 3-nitrobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.