1-Hexylpyridinium trifluoromethanesulfonate
TL;DR: 1-Hexylpyridinium trifluoromethanesulfonate (CAS 623167-81-7) is a chemical compound with molecular formula C12H18F3NO3S and molecular weight 313.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hexylpyridin-1-ium;trifluoromethanesulfonate
Also Known As: N-Hexylpyridinium Trifluoromethanesulfonate, 1-Hexylpyridin-1-ium trifluoromethanesulfonate, 1-hexylpyridinium triflate, 1-Hexylpyridinium trifluoromethanesulfonate, 1-hexylpyridin-1-ium;trifluoromethanesulfonate
| Molecular Formula | C12H18F3NO3S |
|---|---|
| Molecular Weight | 313.10 g/mol |
| LogP | 2.6058 |
| Topological Polar Surface Area | 61.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.09595 |
| Heavy Atoms | 20 |
| Complexity | 460.58594 |
Chemical Identifiers
| CAS Number | 623167-81-7 |
|---|---|
| SMILES | CCCCCC[N+]1=CC=CC=C1.C(F)(F)(F)S(=O)(=O)[O-] |
Product Overview
1-Hexylpyridinium trifluoromethanesulfonate (CAS 623167-81-7), with molecular formula C12H18F3NO3S and molecular weight 313.10 g/mol. IUPAC: 1-hexylpyridin-1-ium;trifluoromethanesulfonate.
Chemical Property Profile of 1-Hexylpyridinium trifluoromethanesulfonate
Property Insights of 1-Hexylpyridinium trifluoromethanesulfonate
The XLogP value of 2.6058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hexylpyridinium trifluoromethanesulfonate. The TPSA of 61.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Hexylpyridinium trifluoromethanesulfonate. Following Lipinski's Rule of Five, 1-Hexylpyridinium trifluoromethanesulfonate has 0 hydrogen bond donor(s) and 3 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 1-Hexylpyridinium trifluoromethanesulfonate?
The CAS number of 1-Hexylpyridinium trifluoromethanesulfonate is 623167-81-7.
What is the molecular formula of 1-Hexylpyridinium trifluoromethanesulfonate?
The molecular formula of 1-Hexylpyridinium trifluoromethanesulfonate is C12H18F3NO3S.
What is the molecular weight of 1-Hexylpyridinium trifluoromethanesulfonate?
The molecular weight of 1-Hexylpyridinium trifluoromethanesulfonate is 313.10 g/mol.
Where can I buy 1-Hexylpyridinium trifluoromethanesulfonate?
You can request a quote for 1-Hexylpyridinium trifluoromethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hexylpyridinium trifluoromethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1-Hexylpyridinium trifluoromethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.