![CAS 872164-47-1 1-[(S)-2-Hydroxy-1-phenylethyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1H-imidazolium Hexafluorophosphate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/872164-47-1.gif)
CAS RN: 872164-47-1
1-[(S)-2-Hydroxy-1-phenylethyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1H-imidazolium Hexafluorophosphate
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250711 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250215 | 100mg / 500mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250123 | 1g | Out of stock | Inquiry | ||
| Batchno.20251211 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250101 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS872164-47-1
- Purity/Analytical Methods: >99.0%
872164-47-1 / (2S)-2-phenyl-2-[3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol hexafluorophosphate
Basic Information
CAS
872164-47-1
Multi CAS
Yes
Molecular Formula
C20F6H25N2OP
Molecular Weight
454.400000
Exact Mass
454.160869
InChI
InChI=1S/C20H25N2O.F6P/c1-15-11-16(2)20(17(3)12-15)22-10-9-21(14-22)19(13-23)18-7-5-4-6-8-18;1-7(2,3,4,5)6/h4-8,11-12,14,19,23H,9-10,13H2,1-3H3;/q+1;-1/t19-;/m1./s1
InChIKey
KVZDNTKXFFQTRF-FSRHSHDFSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
109.03
TPSA
26.48
LogP / Solubility
WLOGP
6.59
MLOGP
5.83
XLogP3
6.59
Consensus LogP
6.34
Log S (ESOL)
-6.84
Class (ESOL)
Insoluble
Log S (Ali)
-8.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.56
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 872206-45-6 6-hydroxy-5-Methylpyrrolo[2,1-f][1,2,4]triazin-4(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/872206-45-6.gif)