1-Butylpyridinium triflate
TL;DR: 1-Butylpyridinium triflate (CAS 390423-43-5) is a chemical compound with molecular formula C10H14F3NO3S and molecular weight 285.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butylpyridin-1-ium;trifluoromethanesulfonate
Also Known As: 1-butylpyridinium triflate, 1-butylpyridin-1-ium trifluoromethanesulfonate, N-butylpyridinium triflate, 1-BUTYLPYRIDINIUM TRIFLUOROMETHANESULFONATE, n-butylpyridinium trifluoromethanesulfonate
| Molecular Formula | C10H14F3NO3S |
|---|---|
| Molecular Weight | 285.06 g/mol |
| LogP | 1.8256 |
| Topological Polar Surface Area | 61.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.06464 |
| Heavy Atoms | 18 |
| Complexity | 431.43118 |
Chemical Identifiers
| CAS Number | 390423-43-5 |
|---|---|
| SMILES | CCCC[N+]1=CC=CC=C1.C(F)(F)(F)S(=O)(=O)[O-] |
Product Overview
1-Butylpyridinium triflate (CAS 390423-43-5), with molecular formula C10H14F3NO3S and molecular weight 285.06 g/mol. IUPAC: 1-butylpyridin-1-ium;trifluoromethanesulfonate.
Chemical Property Profile of 1-Butylpyridinium triflate
Property Insights of 1-Butylpyridinium triflate
The XLogP value of 1.8256 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butylpyridinium triflate. The TPSA of 61.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butylpyridinium triflate. Following Lipinski's Rule of Five, 1-Butylpyridinium triflate 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-Butylpyridinium triflate?
The CAS number of 1-Butylpyridinium triflate is 390423-43-5.
What is the molecular formula of 1-Butylpyridinium triflate?
The molecular formula of 1-Butylpyridinium triflate is C10H14F3NO3S.
What is the molecular weight of 1-Butylpyridinium triflate?
The molecular weight of 1-Butylpyridinium triflate is 285.06 g/mol.
Where can I buy 1-Butylpyridinium triflate?
You can request a quote for 1-Butylpyridinium triflate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butylpyridinium triflate?
Yes, KEHONG BIO provides custom synthesis services for 1-Butylpyridinium triflate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.