Ammonium heptadecafluorooctanesulphonate
TL;DR: Ammonium heptadecafluorooctanesulphonate (CAS 29081-56-9) is a chemical compound with molecular formula C8H4F17NO3S and molecular weight 516.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azane;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid
Also Known As: Ammonium PFOS, PFOS sel d'ammonium, Ammonium heptadecafluorooctanesulphonate, Ammonium perfluorooctanesulfonate, Perfluorootanesulfonate amine
| Molecular Formula | C8H4F17NO3S |
|---|---|
| Molecular Weight | 516.96 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 63.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 7 |
| Exact Mass | 516.96405 |
| Heavy Atoms | 30 |
| Complexity | 727.0 |
Chemical Identifiers
| CAS Number | 29081-56-9 |
|---|---|
| SMILES | C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F.N |
| InChIKey | UAWBWGUIUMQJIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ammonium heptadecafluorooctanesulphonate (CAS 29081-56-9), with molecular formula C8H4F17NO3S and molecular weight 516.96 g/mol. IUPAC: azane;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid.
Chemical Property Profile of Ammonium heptadecafluorooctanesulphonate
Property Insights of Ammonium heptadecafluorooctanesulphonate
The XLogP value of 5.0 indicates that Ammonium heptadecafluorooctanesulphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ammonium heptadecafluorooctanesulphonate. Following Lipinski's Rule of Five, Ammonium heptadecafluorooctanesulphonate has 2 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ammonium heptadecafluorooctanesulphonate?
The CAS number of Ammonium heptadecafluorooctanesulphonate is 29081-56-9.
What is the molecular formula of Ammonium heptadecafluorooctanesulphonate?
The molecular formula of Ammonium heptadecafluorooctanesulphonate is C8H4F17NO3S.
What is the molecular weight of Ammonium heptadecafluorooctanesulphonate?
The molecular weight of Ammonium heptadecafluorooctanesulphonate is 516.96 g/mol.
Where can I buy Ammonium heptadecafluorooctanesulphonate?
You can request a quote for Ammonium heptadecafluorooctanesulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium heptadecafluorooctanesulphonate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium heptadecafluorooctanesulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.