RefChem:436047
TL;DR: RefChem:436047 (CAS 68957-58-4) is a chemical compound with molecular formula C12H16F13IN2O2S and molecular weight 625.98 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 iodide
Also Known As: Trimethyl-3-(((tridecafluorohexyl)sulphonyl)amino)propylammonium iodide, 3-(((Tridecafluorohexyl)sulfonyl)amino)-N,N,N-trimethyl-1-propanaminium iodide, 1-Propanaminium, N,N,N-trimethyl-3-(((tridecafluorohexyl)sulfonyl)amino)-, iodide, 1-Propanaminium, N,N,N-trimethyl-3-[[(tridecafluorohexyl)sulfonyl]amino]-, iodide, 1-Propanaminium, N,N,N-trimethyl-3-(((1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl)amino)-, iodide (1:1)
| Molecular Formula | C12H16F13IN2O2S |
|---|---|
| Molecular Weight | 625.98 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 10 |
| Exact Mass | 625.977 |
| Heavy Atoms | 31 |
| Complexity | 705.0 |
Chemical Identifiers
| CAS Number | 68957-58-4 |
|---|---|
| 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.[I-] |
| InChIKey | ISWKWKSVIRGKHB-UHFFFAOYSA-M |
Product Overview
RefChem:436047 (CAS 68957-58-4), with molecular formula C12H16F13IN2O2S and molecular weight 625.98 g/mol. IUPAC: trimethyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylamino)propyl]azanium iodide.
Chemical Property Profile of RefChem:436047
Property Insights of RefChem:436047
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:436047. With a topological polar surface area (TPSA) of 54.6 Ų, RefChem:436047 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:436047 has 1 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:436047?
The CAS number of RefChem:436047 is 68957-58-4.
What is the molecular formula of RefChem:436047?
The molecular formula of RefChem:436047 is C12H16F13IN2O2S.
What is the molecular weight of RefChem:436047?
The molecular weight of RefChem:436047 is 625.98 g/mol.
Where can I buy RefChem:436047?
You can request a quote for RefChem:436047 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:436047?
Yes, KEHONG BIO provides custom synthesis services for RefChem:436047 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.