RefChem:77094
TL;DR: RefChem:77094 (CAS 67939-95-1) is a chemical compound with molecular formula C10H16F9IN2O2S and molecular weight 525.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[3-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)propyl]azanium iodide
Also Known As: Trimethyl-3-(((nonafluorobutyl)sulphonyl)amino)propylammonium iodide, 1-Propanaminium, N,N,N-trimethyl-3-(((nonafluorobutyl)sulfonyl)amino)-, iodide, 3-(((Nonafluorobutyl)sulfonyl)amino)-N,N,N-trimethyl-1-propanaminium iodide, 1-Propanaminium, N,N,N-trimethyl-3-(((1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl)amino)-, iodide (1:1), n,n,n-trimethyl-3-{[(nonafluorobutyl)sulfonyl]amino}propan-1-aminium iodide
| Molecular Formula | C10H16F9IN2O2S |
|---|---|
| Molecular Weight | 525.98 g/mol |
| LogP | -0.57 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 525.98334 |
| Heavy Atoms | 25 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 67939-95-1 |
|---|---|
| SMILES | C[N+](C)(C)CCCNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F.[I-] |
| InChIKey | MSVMTPPQSPGOSK-UHFFFAOYSA-M |
Product Overview
RefChem:77094 (CAS 67939-95-1), with molecular formula C10H16F9IN2O2S and molecular weight 525.98 g/mol. IUPAC: trimethyl-[3-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)propyl]azanium iodide.
Chemical Property Profile of RefChem:77094
Property Insights of RefChem:77094
The XLogP value of -0.57 indicates that RefChem:77094 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 54.6 Ų, RefChem:77094 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:77094 has 1 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:77094?
The CAS number of RefChem:77094 is 67939-95-1.
What is the molecular formula of RefChem:77094?
The molecular formula of RefChem:77094 is C10H16F9IN2O2S.
What is the molecular weight of RefChem:77094?
The molecular weight of RefChem:77094 is 525.98 g/mol.
Where can I buy RefChem:77094?
You can request a quote for RefChem:77094 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:77094?
Yes, KEHONG BIO provides custom synthesis services for RefChem:77094 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.