Selectfluor*2OTf
TL;DR: Selectfluor*2OTf (CAS 140681-68-1) is a chemical compound with molecular formula C9H14ClF7N2O6S2 and molecular weight 477.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane;bis(trifluoromethanesulfonate)
Also Known As: Selectfluor*2OTf, F-TEDA-OTf, 4,4'-dihydroxydiphenylether, 1-CHLOROMETHYL-4-FLUORO-1,4-DIAZONIABICYCLO[2.2.2]OCTANE BIS(TRIFLUOROMETHANESULFONATE), I14-40415
| Molecular Formula | C9H14ClF7N2O6S2 |
|---|---|
| Molecular Weight | 477.99 g/mol |
| LogP | 0.8308 |
| Topological Polar Surface Area | 114.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 477.987 |
| Heavy Atoms | 27 |
| Complexity | 642.69244 |
Chemical Identifiers
| CAS Number | 140681-68-1 |
|---|---|
| SMILES | C1C[N+]2(CC[N+]1(CC2)CCl)F.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-] |
Product Overview
Selectfluor*2OTf (CAS 140681-68-1), with molecular formula C9H14ClF7N2O6S2 and molecular weight 477.99 g/mol. IUPAC: 1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane;bis(trifluoromethanesulfonate).
Chemical Property Profile of Selectfluor*2OTf
Property Insights of Selectfluor*2OTf
The XLogP value of 0.8308 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Selectfluor*2OTf. The TPSA of 114.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Selectfluor*2OTf. Following Lipinski's Rule of Five, Selectfluor*2OTf has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Selectfluor*2OTf?
The CAS number of Selectfluor*2OTf is 140681-68-1.
What is the molecular formula of Selectfluor*2OTf?
The molecular formula of Selectfluor*2OTf is C9H14ClF7N2O6S2.
What is the molecular weight of Selectfluor*2OTf?
The molecular weight of Selectfluor*2OTf is 477.99 g/mol.
Where can I buy Selectfluor*2OTf?
You can request a quote for Selectfluor*2OTf directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Selectfluor*2OTf?
Yes, KEHONG BIO provides custom synthesis services for Selectfluor*2OTf and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.