3-(4-tert-Butyl-1-pyridinio)-1-propanesulfonate
Product Information
Molecular Formula
C12H19NO3S
Molecular Weight
257.35
Description
3-(4-tert-Butyl-1-pyridinio)-1-propanesulfonate is an innovative compound widely utilized in the biomedical sector and represents a remarkable prospect as an active pharmaceutical ingredient for the management of diverse diseases. Encompassing a distinctive configuration, it enables precise engagements with designated receptors, rendering it an ideal candidate for drug synthesis and design. Cancer, inflammatory disorders, and neurodegenerative ailments emerge as potential targets for this groundbreaking product.
Synonyms
NDSB-256-4T, SB256-4T, SN2564T
IUPAC Name
3-(4-tert-butylpyridin-1-ium-1-yl)propane-1-sulfonate
SMILES
CC(C)(C)C1=CC=[N+](C=C1)CCCS(=O)(=O)[O-]
InChI
InChI=1S/C12H19NO3S/c1-12(2,3)11-5-8-13(9-6-11)7-4-10-17(14,15)16/h5-6,8-9H,4,7,10H2,1-3H3
InChI Key
QMGYGZCGWOKPGR-UHFFFAOYSA-N
Purity
≥98.0% (HPLC)
Computed Properties
XLogP3
1.8
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
257.10856464 g/mol
Monoisotopic Mass
257.10856464 g/mol
Topological Polar Surface Area
69.5Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
305
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| US-2022077449-A1 | Electrochemical cells, components thereof, and methods of their manufacture | 2020-09-08 |
| WO-2022055968-A1 | Electrochemical cells, components thereof, and methods of their manufacture | 2020-09-08 |
| US-11198121-B1 | Flow cell systems and devices | 2020-06-10 |
| US-2021387184-A1 | Flow cell systems and devices | 2020-06-10 |
| US-2021223178-A1 | Optical system for fluorescence imaging | 2020-01-17 |
| US-2021223530-A1 | Optical system for fluorescence imaging | 2020-01-17 |
| US-2021223531-A1 | Optical system for fluorescence imaging | 2020-01-17 |
| US-11098140-B2 | Production of 1-butene and ultra-high-molecular-weight polyethylene | 2020-01-03 |
| US-2021206890-A1 | Production of 1-Butene and Ultra-High-Molecular-Weight Polyethylene | 2020-01-03 |
| WO-2021138657-A1 | Production of 1-butene and ultra-high-molecular-weight polyethylene | 2020-01-03 |
