RefChem:436044
TL;DR: RefChem:436044 (CAS 68957-55-1) is a chemical compound with molecular formula C11H16ClF11N2O2S and molecular weight 484.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[3-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)propyl]azanium chloride
Also Known As: Trimethyl-3-(((undecafluoropentyl)sulphonyl)amino)propylammonium chloride, 1-Propanaminium, N,N,N-trimethyl-3-(((undecafluoropentyl)sulfonyl)amino)-, chloride, 1-Propanaminium, N,N,N-trimethyl-3-[[(undecafluoropentyl)sulfonyl]amino]-, chloride, 3-(((Undecafluoropentyl)sulfonyl)amino)-N,N,N-trimethyl-1-propanaminium chloride, 1-Propanaminium, N,N,N-trimethyl-3-(((1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)sulfonyl)amino)-, chloride (1:1)
| Molecular Formula | C11H16ClF11N2O2S |
|---|---|
| Molecular Weight | 484.04 g/mol |
| LogP | 0.07 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 484.04453 |
| Heavy Atoms | 28 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 68957-55-1 |
|---|---|
| SMILES | C[N+](C)(C)CCCNS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F.[Cl-] |
| InChIKey | RHGJXQKTIMJLCF-UHFFFAOYSA-M |
Product Overview
RefChem:436044 (CAS 68957-55-1), with molecular formula C11H16ClF11N2O2S and molecular weight 484.04 g/mol. IUPAC: trimethyl-[3-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)propyl]azanium chloride.
Chemical Property Profile of RefChem:436044
Property Insights of RefChem:436044
The XLogP value of 0.07 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:436044. With a topological polar surface area (TPSA) of 54.6 Ų, RefChem:436044 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:436044 has 1 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:436044?
The CAS number of RefChem:436044 is 68957-55-1.
What is the molecular formula of RefChem:436044?
The molecular formula of RefChem:436044 is C11H16ClF11N2O2S.
What is the molecular weight of RefChem:436044?
The molecular weight of RefChem:436044 is 484.04 g/mol.
Where can I buy RefChem:436044?
You can request a quote for RefChem:436044 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:436044?
Yes, KEHONG BIO provides custom synthesis services for RefChem:436044 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.