CAS RN: 30102-73-9

(5-HEXENYL)DIMETHYLCHLOROSILANE

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  • Product code: starshine_CAS30102-73-9
  • Purity/Analytical Methods: >99.0%
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30102-73-9 / chloro-hex-5-enyl-dimethylsilane

Standard CAS: 30102-73-9 Multi CAS: No

Basic Information

CAS
30102-73-9
Multi CAS
No
Molecular Formula
C8H17CLSI
Molecular Weight
176.760000
Exact Mass
176.078805
InChI
InChI=1S/C8H17ClSi/c1-4-5-6-7-8-10(2,3)9/h4H,1,5-8H2,2-3H3
InChIKey
NQKBNSIOLMRTDL-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.75
Rotatable bonds
5
Molar refractivity
52.19
TPSA
0.0000

LogP / Solubility

WLOGP
3.79
MLOGP
3.33
XLogP3
3.79
Consensus LogP
3.64
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.55
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-1.11

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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