CAS RN: 475213-02-6

(DI-N-OCTYLMETHYLSILYL)ETHYLTRICHLOROSILANE

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  • Product code: starshine_CAS475213-02-6
  • Purity/Analytical Methods: >99.0%
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475213-02-6 / trichloro-[2-[methyl(dioctyl)silyl]ethyl]silane

Standard CAS: 475213-02-6 Multi CAS: No

Basic Information

CAS
475213-02-6
Multi CAS
No
Molecular Formula
C19H41CL3SI2
Molecular Weight
432.100000
Exact Mass
430.181237
InChI
InChI=1S/C19H41Cl3Si2/c1-4-6-8-10-12-14-16-23(3,18-19-24(20,21)22)17-15-13-11-9-7-5-2/h4-19H2,1-3H3
InChIKey
QVSCTHUCDLBWMM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
1
Rotatable bonds
17
Molar refractivity
120.91
TPSA
0.0000

LogP / Solubility

WLOGP
9.44
MLOGP
8.34
XLogP3
9.44
Consensus LogP
9.07
Log S (ESOL)
-7.34
Class (ESOL)
Insoluble
Log S (Ali)
-9.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.34
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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