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CAS RN: 371162-53-7
LITHIUM TETRAKIS(PENTAFLUOROPHENYL)-
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS371162-53-7
- Purity/Analytical Methods: >99.0%
371162-53-7 / lithium;ethoxyethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
Basic Information
CAS
371162-53-7
Multi CAS
Yes
Molecular Formula
BC28F20H10LiO
Molecular Weight
760.100000
Exact Mass
760.066537
InChI
InChI=1S/C24BF20.C4H10O.Li/c26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;1-3-5-4-2;/h;3-4H2,1-2H3;/q-1;;+1
InChIKey
KPLZKJQZPFREPG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
51
Aromatic heavy atom count
24
Fraction Csp3
0.14
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
131.39
TPSA
9.23
LogP / Solubility
WLOGP
3.89
MLOGP
3.49
XLogP3
3.89
Consensus LogP
3.76
Log S (ESOL)
-6.96
Class (ESOL)
Insoluble
Log S (Ali)
-8.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.55
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.59
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
4.5
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