1H,1H,9H-Perfluorononyl p-toluenesulfonate
TL;DR: 1H,1H,9H-Perfluorononyl p-toluenesulfonate (CAS 864-23-3) is a chemical compound with molecular formula C16H10F16O3S and molecular weight 586.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl 4-methylbenzenesulfonate
Also Known As: 1H,1H,9H-Perfluorononyl p-toluenesulfonate, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl 4-methylbenzenesulfonate, 1H,1H,9H-PERFLUORONONYLP-TOLUENESULFONATE, 1H,1H,9H-Perfluorononyl 4-toluene sulfonate, 1H,1H,9H-Perfluorononyl (4-methylphenyl)sulphonate
| Molecular Formula | C16H10F16O3S |
|---|---|
| Molecular Weight | 586.01 g/mol |
| LogP | 6.41252 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 586.0095 |
| Heavy Atoms | 36 |
| Complexity | 1033.9854 |
Chemical Identifiers
| CAS Number | 864-23-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
Product Overview
1H,1H,9H-Perfluorononyl p-toluenesulfonate (CAS 864-23-3), with molecular formula C16H10F16O3S and molecular weight 586.01 g/mol. IUPAC: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl 4-methylbenzenesulfonate.
Chemical Property Profile of 1H,1H,9H-Perfluorononyl p-toluenesulfonate
Property Insights of 1H,1H,9H-Perfluorononyl p-toluenesulfonate
The XLogP value of 6.41252 indicates that 1H,1H,9H-Perfluorononyl p-toluenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 1H,1H,9H-Perfluorononyl p-toluenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H,1H,9H-Perfluorononyl p-toluenesulfonate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H,1H,9H-Perfluorononyl p-toluenesulfonate?
The CAS number of 1H,1H,9H-Perfluorononyl p-toluenesulfonate is 864-23-3.
What is the molecular formula of 1H,1H,9H-Perfluorononyl p-toluenesulfonate?
The molecular formula of 1H,1H,9H-Perfluorononyl p-toluenesulfonate is C16H10F16O3S.
What is the molecular weight of 1H,1H,9H-Perfluorononyl p-toluenesulfonate?
The molecular weight of 1H,1H,9H-Perfluorononyl p-toluenesulfonate is 586.01 g/mol.
Where can I buy 1H,1H,9H-Perfluorononyl p-toluenesulfonate?
You can request a quote for 1H,1H,9H-Perfluorononyl p-toluenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H,1H,9H-Perfluorononyl p-toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1H,1H,9H-Perfluorononyl p-toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.