RefChem:77096
TL;DR: RefChem:77096 (CAS 68555-81-7) is a chemical compound with molecular formula C13H16ClF15N2O2S and molecular weight 584.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonylamino)propyl]azanium chloride
Also Known As: Trimethyl-3-(((pentadecafluoroheptyl)sulphonyl)amino)propylammonium chloride, 3-(((Pentadecafluoroheptyl)sulfonyl)amino)-N,N,N-trimethyl-1-propanaminium chloride, TRIMETHYL-3-[[(PENTADECAFLUOROHEPTYL)SULPHONYL]AMINO]PROPYLAMMONIUM CHLORIDE, 1-Propanaminium, N,N,N-trimethyl-3-(((1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)sulfonyl)amino)-, chloride (1:1), 1-Propanaminium, N,N,N-trimethyl-3-(((pentadecafluoroheptyl)sulfonyl)amino)-, chloride
| Molecular Formula | C13H16ClF15N2O2S |
|---|---|
| Molecular Weight | 584.04 g/mol |
| LogP | 1.34 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 11 |
| Exact Mass | 584.03815 |
| Heavy Atoms | 34 |
| Complexity | 794.0 |
Chemical Identifiers
| CAS Number | 68555-81-7 |
|---|---|
| SMILES | C[N+](C)(C)CCCNS(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[Cl-] |
| InChIKey | DEWPQMPVQKTNFF-UHFFFAOYSA-M |
Product Overview
RefChem:77096 (CAS 68555-81-7), with molecular formula C13H16ClF15N2O2S and molecular weight 584.04 g/mol. IUPAC: trimethyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonylamino)propyl]azanium chloride.
Chemical Property Profile of RefChem:77096
Property Insights of RefChem:77096
The XLogP value of 1.34 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:77096. With a topological polar surface area (TPSA) of 54.6 Ų, RefChem:77096 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:77096 has 1 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:77096?
The CAS number of RefChem:77096 is 68555-81-7.
What is the molecular formula of RefChem:77096?
The molecular formula of RefChem:77096 is C13H16ClF15N2O2S.
What is the molecular weight of RefChem:77096?
The molecular weight of RefChem:77096 is 584.04 g/mol.
Where can I buy RefChem:77096?
You can request a quote for RefChem:77096 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:77096?
Yes, KEHONG BIO provides custom synthesis services for RefChem:77096 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.