RefChem:435961
TL;DR: RefChem:435961 (CAS 68310-75-8) is a chemical compound with molecular formula C14H19F17IN3O2S and molecular weight 743.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azane;3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)propyl-trimethylazanium;iodide
Also Known As: (2,4-dimethylcyclohexyl)methyl acetate, 3-(((Heptadecafluorooctyl)sulphonyl)amino)trimethylammonium iodide, 3-((Perfluorooctylsulphonyl)amino)-N,N,N-trimethylpropanaminium iodide, 1-Propanaminium, 3-(((heptadecafluorooctyl)sulfonyl)amino)-N,N,N-trimethyl-, iodide, ammonium salt, 1-Propanaminium, 3-(((1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl)amino)-N,N,N-trimethyl-, iodide, ammonium salt (1:1:1)
| Molecular Formula | C14H19F17IN3O2S |
|---|---|
| Molecular Weight | 743.00 g/mol |
| LogP | 2.14 |
| Topological Polar Surface Area | 55.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 12 |
| Exact Mass | 742.99713 |
| Heavy Atoms | 38 |
| Complexity | 885.0 |
Chemical Identifiers
| CAS Number | 68310-75-8 |
|---|---|
| SMILES | C[N+](C)(C)CCCNS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.N.[I-] |
| InChIKey | YONNGZYSTYQPFN-UHFFFAOYSA-M |
Product Overview
RefChem:435961 (CAS 68310-75-8), with molecular formula C14H19F17IN3O2S and molecular weight 743.00 g/mol. IUPAC: azane;3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)propyl-trimethylazanium;iodide.
Chemical Property Profile of RefChem:435961
Property Insights of RefChem:435961
The XLogP value of 2.14 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:435961. With a topological polar surface area (TPSA) of 55.6 Ų, RefChem:435961 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:435961 has 2 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:435961?
The CAS number of RefChem:435961 is 68310-75-8.
What is the molecular formula of RefChem:435961?
The molecular formula of RefChem:435961 is C14H19F17IN3O2S.
What is the molecular weight of RefChem:435961?
The molecular weight of RefChem:435961 is 743.00 g/mol.
Where can I buy RefChem:435961?
You can request a quote for RefChem:435961 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:435961?
Yes, KEHONG BIO provides custom synthesis services for RefChem:435961 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.