![Pyridine, 2-[[[4-(1,1-dimethylpropyl)phenyl]methyl]sulfonyl]-, 1-oxide structure](/static/products/4786/478619-57-7.webp)
Pyridine, 2-[[[4-(1,1-dimethylpropyl)phenyl]methyl]sulfonyl]-, 1-oxide
TL;DR: Pyridine, 2-[[[4-(1,1-dimethylpropyl)phenyl]methyl]sulfonyl]-, 1-oxide (CAS 478619-57-7) is a chemical compound with molecular formula C17H21NO3S and molecular weight 319.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(2-methylbutan-2-yl)phenyl]methylsulfonyl]-1-oxidopyridin-1-ium
Also Known As: difluoroacetyltriisopropylsilane, J1.819.383C, 2-(4-tert-Pentylbenzylsulfonyl)pyridine 1-oxide, Pyridine, 2-[[[4-(1,1-dimethylpropyl)phenyl]methyl]sulfonyl]-, 1-oxide, 2-[[4-(2-methylbutan-2-yl)phenyl]methylsulfonyl]-1-oxidopyridin-1-ium
| Molecular Formula | C17H21NO3S |
|---|---|
| Molecular Weight | 319.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 68.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.1242 |
| Heavy Atoms | 22 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 478619-57-7 |
|---|---|
| SMILES | CCC(C)(C)C1=CC=C(C=C1)CS(=O)(=O)C2=CC=CC=[N+]2[O-] |
| InChIKey | ZDQXDKYEEGHKOD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyridine, 2-[[[4-(1,1-dimethylpropyl)phenyl]methyl]sulfonyl]-, 1-oxide (CAS 478619-57-7), with molecular formula C17H21NO3S and molecular weight 319.12 g/mol. IUPAC: 2-[[4-(2-methylbutan-2-yl)phenyl]methylsulfonyl]-1-oxidopyridin-1-ium.
Chemical Property Profile of Pyridine, 2-[[[4-(1,1-dimethylpropyl)phenyl]methyl]sulfonyl]-, 1-oxide
Property Insights of Pyridine, 2-[[[4-(1,1-dimethylpropyl)phenyl]methyl]sulfonyl]-, 1-oxide
The XLogP value of 3.1 indicates that Pyridine, 2-[[[4-(1,1-dimethylpropyl)phenyl]methyl]sulfonyl]-, 1-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridine, 2-[[[4-(1,1-dimethylpropyl)phenyl]methyl]sulfonyl]-, 1-oxide. Following Lipinski's Rule of Five, Pyridine, 2-[[[4-(1,1-dimethylpropyl)phenyl]methyl]sulfonyl]-, 1-oxide 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 Pyridine, 2-[[[4-(1,1-dimethylpropyl)phenyl]methyl]sulfonyl]-, 1-oxide?
The CAS number of Pyridine, 2-[[[4-(1,1-dimethylpropyl)phenyl]methyl]sulfonyl]-, 1-oxide is 478619-57-7.
What is the molecular formula of Pyridine, 2-[[[4-(1,1-dimethylpropyl)phenyl]methyl]sulfonyl]-, 1-oxide?
The molecular formula of Pyridine, 2-[[[4-(1,1-dimethylpropyl)phenyl]methyl]sulfonyl]-, 1-oxide is C17H21NO3S.
What is the molecular weight of Pyridine, 2-[[[4-(1,1-dimethylpropyl)phenyl]methyl]sulfonyl]-, 1-oxide?
The molecular weight of Pyridine, 2-[[[4-(1,1-dimethylpropyl)phenyl]methyl]sulfonyl]-, 1-oxide is 319.12 g/mol.
Where can I buy Pyridine, 2-[[[4-(1,1-dimethylpropyl)phenyl]methyl]sulfonyl]-, 1-oxide?
You can request a quote for Pyridine, 2-[[[4-(1,1-dimethylpropyl)phenyl]methyl]sulfonyl]-, 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridine, 2-[[[4-(1,1-dimethylpropyl)phenyl]methyl]sulfonyl]-, 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for Pyridine, 2-[[[4-(1,1-dimethylpropyl)phenyl]methyl]sulfonyl]-, 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.