CAS RN: 460092-03-9
TRIHEXYL(TETRADECYL)PHOSPHONIUM BIS(TRIFLUOROMETHYLSULFONYL)IMIDE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251113 | 1g / 5g / 25g / 100g / 250g | Confirm by inquiry | Shanghai, Hebei, Shandong, Guangdong | Inquiry |
- Product code: starshine_CAS460092-03-9
- Purity/Analytical Methods: >99.0%
460092-03-9 / bis(trifluoromethylsulfonyl)azanide;trihexyl(tetradecyl)phosphanium
Basic Information
CAS
460092-03-9
Multi CAS
No
Molecular Formula
C34F6H68NO4PS2
Molecular Weight
764.000000
Exact Mass
763.423158
InChI
InChI=1S/C32H68P.C2F6NO4S2/c1-5-9-13-17-18-19-20-21-22-23-24-28-32-33(29-25-14-10-6-2,30-26-15-11-7-3)31-27-16-12-8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-32H2,1-4H3;/q+1;-1
InChIKey
HYNYWFRJHNNLJA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
48
Fraction Csp3
1
Rotatable bonds
30
H-bond acceptors
4
Molar refractivity
193.2
TPSA
82.38
LogP / Solubility
WLOGP
13.51
MLOGP
11.95
XLogP3
13.51
Consensus LogP
12.99
Log S (ESOL)
-11.11
Class (ESOL)
Insoluble
Log S (Ali)
-15.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-19.44
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.21
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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