CAS RN: 665-46-3
Tetraethylammonium fluoride dihydrate
Product Availability
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3 package records0 with current stock1 grade group
- Product code: starshine_CAS665-46-3
- Purity/Analytical Methods: >99.0%
665-46-3 / tetraethylazanium;fluoride;dihydrate
Basic Information
CAS
665-46-3
Multi CAS
Yes
Molecular Formula
C8FH24NO2
Molecular Weight
185.280000
Exact Mass
185.179107
InChI
InChI=1S/C8H20N.FH.2H2O/c1-5-9(6-2,7-3)8-4;;;/h5-8H2,1-4H3;1H;2*1H2/q+1;;;/p-1
InChIKey
HRTKQUHFGZFPPF-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
49.65
TPSA
63
LogP / Solubility
WLOGP
-2.76
MLOGP
-2.43
XLogP3
-2.76
Consensus LogP
-2.65
Log S (ESOL)
1.02
Class (ESOL)
Highly soluble
Log S (Ali)
0.92
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.95
Class (SILICOS-IT)
Highly soluble
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
No
Log Kp (skin permeation)
-5.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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