3-(Perfluorohexanesulfonamido)-N,N,N-trimethylpropan-1-aminium
TL;DR: 3-(Perfluorohexanesulfonamido)-N,N,N-trimethylpropan-1-aminium (CAS 70248-51-0) is a chemical compound with molecular formula C12H16F13N2O2S+ and molecular weight 499.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylamino)propyl]azanium
Also Known As: qaPFSMa n=6, 3-(Tridecafluorohexylsulfonylamino)propyltrimethylaminium, perfluoroalkanesulfonamido quaternary ammonium, n=6, N-Trimethylammoniopropyl perfluorohexane sulfonamide, 3-(Perfluorohexanesulfonamido)-N,N,N-trimethylpropan-1-aminium
| Molecular Formula | C12H16F13N2O2S+ |
|---|---|
| Molecular Weight | 499.07 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 499.07248 |
| Heavy Atoms | 30 |
| Complexity | 705.0 |
Chemical Identifiers
| CAS Number | 70248-51-0 |
|---|---|
| SMILES | C[N+](C)(C)CCCNS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | OWBYGXNKMFLAMD-UHFFFAOYSA-N |
Product Overview
3-(Perfluorohexanesulfonamido)-N,N,N-trimethylpropan-1-aminium (CAS 70248-51-0), with molecular formula C12H16F13N2O2S+ and molecular weight 499.07 g/mol. IUPAC: trimethyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylamino)propyl]azanium.
Chemical Property Profile of 3-(Perfluorohexanesulfonamido)-N,N,N-trimethylpropan-1-aminium
Property Insights of 3-(Perfluorohexanesulfonamido)-N,N,N-trimethylpropan-1-aminium
The XLogP value of 4.3 indicates that 3-(Perfluorohexanesulfonamido)-N,N,N-trimethylpropan-1-aminium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.6 Ų, 3-(Perfluorohexanesulfonamido)-N,N,N-trimethylpropan-1-aminium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Perfluorohexanesulfonamido)-N,N,N-trimethylpropan-1-aminium has 1 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Perfluorohexanesulfonamido)-N,N,N-trimethylpropan-1-aminium?
The CAS number of 3-(Perfluorohexanesulfonamido)-N,N,N-trimethylpropan-1-aminium is 70248-51-0.
What is the molecular formula of 3-(Perfluorohexanesulfonamido)-N,N,N-trimethylpropan-1-aminium?
The molecular formula of 3-(Perfluorohexanesulfonamido)-N,N,N-trimethylpropan-1-aminium is C12H16F13N2O2S+.
What is the molecular weight of 3-(Perfluorohexanesulfonamido)-N,N,N-trimethylpropan-1-aminium?
The molecular weight of 3-(Perfluorohexanesulfonamido)-N,N,N-trimethylpropan-1-aminium is 499.07 g/mol.
Where can I buy 3-(Perfluorohexanesulfonamido)-N,N,N-trimethylpropan-1-aminium?
You can request a quote for 3-(Perfluorohexanesulfonamido)-N,N,N-trimethylpropan-1-aminium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Perfluorohexanesulfonamido)-N,N,N-trimethylpropan-1-aminium?
Yes, KEHONG BIO provides custom synthesis services for 3-(Perfluorohexanesulfonamido)-N,N,N-trimethylpropan-1-aminium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.