2,6-DI-Tert-butyl-4-methyl-pyranylium, trifluoro-methanesulfonate
TL;DR: 2,6-DI-Tert-butyl-4-methyl-pyranylium, trifluoro-methanesulfonate (CAS 59643-43-5) is a chemical compound with molecular formula C15H23F3O4S and molecular weight 356.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-ditert-butyl-4-methylpyrylium;trifluoromethanesulfonate
Also Known As: 2,6-Di-tert-butyl-4-methylpyrylium Trifluoromethanesulfonate, 2,6-Di-t-butyl-4-methylpyrilium triflate, dibutylmethylpyryliumtrifluoromethanesulfonate, 2,6-Di-tert-butyl-4-methylpyrilium Triflate, 2,6-Di-tert-butyl-4-methylpyrylium Triflate
| Molecular Formula | C15H23F3O4S |
|---|---|
| Molecular Weight | 356.13 g/mol |
| LogP | 4.51552 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 356.12692 |
| Heavy Atoms | 23 |
| Complexity | 603.90656 |
Chemical Identifiers
| CAS Number | 59643-43-5 |
|---|---|
| SMILES | CC1=CC(=[O+]C(=C1)C(C)(C)C)C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-] |
Product Overview
2,6-DI-Tert-butyl-4-methyl-pyranylium, trifluoro-methanesulfonate (CAS 59643-43-5), with molecular formula C15H23F3O4S and molecular weight 356.13 g/mol. IUPAC: 2,6-ditert-butyl-4-methylpyrylium;trifluoromethanesulfonate.
Chemical Property Profile of 2,6-DI-Tert-butyl-4-methyl-pyranylium, trifluoro-methanesulfonate
Property Insights of 2,6-DI-Tert-butyl-4-methyl-pyranylium, trifluoro-methanesulfonate
The XLogP value of 4.51552 indicates that 2,6-DI-Tert-butyl-4-methyl-pyranylium, trifluoro-methanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-DI-Tert-butyl-4-methyl-pyranylium, trifluoro-methanesulfonate. Following Lipinski's Rule of Five, 2,6-DI-Tert-butyl-4-methyl-pyranylium, trifluoro-methanesulfonate 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 2,6-DI-Tert-butyl-4-methyl-pyranylium, trifluoro-methanesulfonate?
The CAS number of 2,6-DI-Tert-butyl-4-methyl-pyranylium, trifluoro-methanesulfonate is 59643-43-5.
What is the molecular formula of 2,6-DI-Tert-butyl-4-methyl-pyranylium, trifluoro-methanesulfonate?
The molecular formula of 2,6-DI-Tert-butyl-4-methyl-pyranylium, trifluoro-methanesulfonate is C15H23F3O4S.
What is the molecular weight of 2,6-DI-Tert-butyl-4-methyl-pyranylium, trifluoro-methanesulfonate?
The molecular weight of 2,6-DI-Tert-butyl-4-methyl-pyranylium, trifluoro-methanesulfonate is 356.13 g/mol.
Where can I buy 2,6-DI-Tert-butyl-4-methyl-pyranylium, trifluoro-methanesulfonate?
You can request a quote for 2,6-DI-Tert-butyl-4-methyl-pyranylium, trifluoro-methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-DI-Tert-butyl-4-methyl-pyranylium, trifluoro-methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,6-DI-Tert-butyl-4-methyl-pyranylium, trifluoro-methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.