CAS RN: 31639-80-2

1,4-Bis-Trimethylsilanyl-1,4-Dihydro-Pyrazine

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  • Product code: starshine_CAS31639-80-2
  • Purity/Analytical Methods: >99.0%
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31639-80-2 / trimethyl-(4-trimethylsilylpyrazin-1-yl)silane

Standard CAS: 31639-80-2 Multi CAS: Yes

Basic Information

CAS
31639-80-2
Multi CAS
Yes
Molecular Formula
C10H22N2Si2
Molecular Weight
226.470000
Exact Mass
226.132152
InChI
InChI=1S/C10H22N2Si2/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-10H,1-6H3
InChIKey
WGBPOPJACTZYSA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
68.65
TPSA
6.48

LogP / Solubility

WLOGP
3.22
MLOGP
2.83
XLogP3
3.22
Consensus LogP
3.09
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.04
Class (SILICOS-IT)
Slightly 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)
-1.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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