RefChem:870812
TL;DR: RefChem:870812 (CAS 61798-68-3) is a chemical compound with molecular formula C22H16F17NO3S and molecular weight 697.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)pyridin-1-ium;4-methylbenzenesulfonate
Also Known As: 1- pyridiniumtoluene-p-sulphonate, Pyridinium, 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-, salt with 4-methylbenzenesulfonic acid (1:1), 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)pyridinium 4-methylbenzenesulfonate, 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)pyridinium toluene-p-sulphonate, N-((Perfluorooctyl)-1-ethyl)pyridinium 4-methylbenzenesulfonate
| Molecular Formula | C22H16F17NO3S |
|---|---|
| Molecular Weight | 697.06 g/mol |
| LogP | 7.27 |
| Topological Polar Surface Area | 69.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 9 |
| Exact Mass | 697.0579 |
| Heavy Atoms | 44 |
| Complexity | 867.0 |
Chemical Identifiers
| CAS Number | 61798-68-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=[N+](C=C1)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | ZUDDXBNNEBHAMS-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:870812 (CAS 61798-68-3), with molecular formula C22H16F17NO3S and molecular weight 697.06 g/mol. IUPAC: 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)pyridin-1-ium;4-methylbenzenesulfonate.
Chemical Property Profile of RefChem:870812
Property Insights of RefChem:870812
The XLogP value of 7.27 indicates that RefChem:870812 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:870812. Following Lipinski's Rule of Five, RefChem:870812 has 0 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:870812?
The CAS number of RefChem:870812 is 61798-68-3.
What is the molecular formula of RefChem:870812?
The molecular formula of RefChem:870812 is C22H16F17NO3S.
What is the molecular weight of RefChem:870812?
The molecular weight of RefChem:870812 is 697.06 g/mol.
Where can I buy RefChem:870812?
You can request a quote for RefChem:870812 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:870812?
Yes, KEHONG BIO provides custom synthesis services for RefChem:870812 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.