2-Isobutoxy-4,6-dimethyl-3-pyridinyl 3-(trifluoromethyl)phenyl sulfone
TL;DR: 2-Isobutoxy-4,6-dimethyl-3-pyridinyl 3-(trifluoromethyl)phenyl sulfone (CAS 339276-76-5) is a chemical compound with molecular formula C18H20F3NO3S and molecular weight 387.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-2-(2-methylpropoxy)-3-[3-(trifluoromethyl)phenyl]sulfonylpyridine
Also Known As: 4K-301S, 2-isobutoxy-4,6-dimethyl-3-pyridinyl 3-(trifluoromethyl)phenyl sulfone, 4,6-dimethyl-2-(2-methylpropoxy)-3-[3-(trifluoromethyl)benzenesulfonyl]pyridine, 4,6-dimethyl-2-(2-methylpropoxy)-3-[3-(trifluoromethyl)phenyl]sulfonylpyridine
| Molecular Formula | C18H20F3NO3S |
|---|---|
| Molecular Weight | 387.11 g/mol |
| LogP | 4.58484 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.1116 |
| Heavy Atoms | 26 |
| Complexity | 906.3827 |
Chemical Identifiers
| CAS Number | 339276-76-5 |
|---|---|
| SMILES | CC1=CC(=NC(=C1S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)OCC(C)C)C |
Product Overview
2-Isobutoxy-4,6-dimethyl-3-pyridinyl 3-(trifluoromethyl)phenyl sulfone (CAS 339276-76-5), with molecular formula C18H20F3NO3S and molecular weight 387.11 g/mol. IUPAC: 4,6-dimethyl-2-(2-methylpropoxy)-3-[3-(trifluoromethyl)phenyl]sulfonylpyridine.
Chemical Property Profile of 2-Isobutoxy-4,6-dimethyl-3-pyridinyl 3-(trifluoromethyl)phenyl sulfone
Property Insights of 2-Isobutoxy-4,6-dimethyl-3-pyridinyl 3-(trifluoromethyl)phenyl sulfone
The XLogP value of 4.58484 indicates that 2-Isobutoxy-4,6-dimethyl-3-pyridinyl 3-(trifluoromethyl)phenyl sulfone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.26 Ų, 2-Isobutoxy-4,6-dimethyl-3-pyridinyl 3-(trifluoromethyl)phenyl sulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isobutoxy-4,6-dimethyl-3-pyridinyl 3-(trifluoromethyl)phenyl sulfone has 0 hydrogen bond donor(s) and 4 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-Isobutoxy-4,6-dimethyl-3-pyridinyl 3-(trifluoromethyl)phenyl sulfone?
The CAS number of 2-Isobutoxy-4,6-dimethyl-3-pyridinyl 3-(trifluoromethyl)phenyl sulfone is 339276-76-5.
What is the molecular formula of 2-Isobutoxy-4,6-dimethyl-3-pyridinyl 3-(trifluoromethyl)phenyl sulfone?
The molecular formula of 2-Isobutoxy-4,6-dimethyl-3-pyridinyl 3-(trifluoromethyl)phenyl sulfone is C18H20F3NO3S.
What is the molecular weight of 2-Isobutoxy-4,6-dimethyl-3-pyridinyl 3-(trifluoromethyl)phenyl sulfone?
The molecular weight of 2-Isobutoxy-4,6-dimethyl-3-pyridinyl 3-(trifluoromethyl)phenyl sulfone is 387.11 g/mol.
Where can I buy 2-Isobutoxy-4,6-dimethyl-3-pyridinyl 3-(trifluoromethyl)phenyl sulfone?
You can request a quote for 2-Isobutoxy-4,6-dimethyl-3-pyridinyl 3-(trifluoromethyl)phenyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isobutoxy-4,6-dimethyl-3-pyridinyl 3-(trifluoromethyl)phenyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for 2-Isobutoxy-4,6-dimethyl-3-pyridinyl 3-(trifluoromethyl)phenyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.