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CAS 4556-72-3 (4 – vinyl phenyl) dimethyl silane molecular structure lightbox
CAS RN: 4556-72-3

(4 – vinyl phenyl) dimethyl silane

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  • Product code: starshine_CAS4556-72-3
  • Purity/Analytical Methods: >99.0%
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4556-72-3 / ethenyl-dimethyl-phenylsilane

Standard CAS: 4556-72-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4556-72-3
Multi CAS
Yes
Molecular Formula
C10H14Si
Molecular Weight
162.300000
Exact Mass
162.086477
InChI
InChI=1S/C10H13Si/c1-4-9-5-7-10(8-6-9)11(2)3/h4-8H,1H2,2-3H3
InChIKey
FOCKABARGIGHES-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
Molar refractivity
53.76
TPSA
0.0000

LogP / Solubility

WLOGP
2.33
MLOGP
2.04
XLogP3
2.33
Consensus LogP
2.23
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately 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)
-2.06

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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