CAS RN: 4039-32-1
Lithium Bis(trimethylsilyl)amide (ca. 26% in Tetrahydrofuran, ca. 1.3mol/L)
Product Availability
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6 package records6 with current stock4 grade groups
- Product code: ICTH0915
4039-32-1 / lithium bis(trimethylsilyl)azanide
Basic Information
CAS
4039-32-1
Multi CAS
Yes
Molecular Formula
C6H18LiNSi2
Molecular Weight
167.400000
Exact Mass
167.113781
InChI
InChI=1S/C6H18NSi2.Li/c1-8(2,3)7-9(4,5)6;/h1-6H3;/q-1;+1
InChIKey
YNESATAKKCNGOF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
50.05
TPSA
14.1
LogP / Solubility
WLOGP
0.03
MLOGP
0.03
XLogP3
0.03
Consensus LogP
0.03
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.02
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.72
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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