EINECS 302-083-1
TL;DR: EINECS 302-083-1 (CAS 94088-80-9) is a chemical compound with molecular formula C14H20F13IN2O2S and molecular weight 654.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonylamino)propyl]azanium iodide
Also Known As: EINECS 302-083-1, trimethyl-3-[[sulphonyl]amino]propylammoniumiodide, trimethyl-3-[[ sulphonyl]amino]propylammoniumiodide, Trimethyl-3-(((3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulphonyl)amino)propylammonium iodide, Trimethyl-3-((perfluorohexyl)ethylsulfonyl)aminopropylammonium iodide
| Molecular Formula | C14H20F13IN2O2S |
|---|---|
| Molecular Weight | 654.01 g/mol |
| LogP | 1.135 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 654.00824 |
| Heavy Atoms | 33 |
| Complexity | 749.174 |
Chemical Identifiers
| CAS Number | 94088-80-9 |
|---|---|
| SMILES | C[N+](C)(C)CCCNS(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[I-] |
Product Overview
EINECS 302-083-1 (CAS 94088-80-9), with molecular formula C14H20F13IN2O2S and molecular weight 654.01 g/mol. IUPAC: trimethyl-[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonylamino)propyl]azanium iodide.
Chemical Property Profile of EINECS 302-083-1
Property Insights of EINECS 302-083-1
The XLogP value of 1.135 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 302-083-1. With a topological polar surface area (TPSA) of 46.17 Ų, EINECS 302-083-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, EINECS 302-083-1 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 302-083-1?
The CAS number of EINECS 302-083-1 is 94088-80-9.
What is the molecular formula of EINECS 302-083-1?
The molecular formula of EINECS 302-083-1 is C14H20F13IN2O2S.
What is the molecular weight of EINECS 302-083-1?
The molecular weight of EINECS 302-083-1 is 654.01 g/mol.
Where can I buy EINECS 302-083-1?
You can request a quote for EINECS 302-083-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 302-083-1?
Yes, KEHONG BIO provides custom synthesis services for EINECS 302-083-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.