CAS RN: 36493-41-1

2-[METHOXY(POLYETHYLENEOXY)PROPYL]TRICHLOROSILANE

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  • Product code: starshine_CAS36493-41-1
  • Purity/Analytical Methods: >99.0%
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36493-41-1 / trichloro-[3-(2-methoxyethoxy)propyl]silane

Standard CAS: 36493-41-1 Multi CAS: No

Basic Information

CAS
36493-41-1
Multi CAS
No
Molecular Formula
C6H13CL3O2SI
Molecular Weight
251.600000
Exact Mass
249.975039
InChI
InChI=1S/C6H13Cl3O2Si/c1-10-4-5-11-3-2-6-12(7,8)9/h2-6H2,1H3
InChIKey
DGTBKVZURRVYSG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
55.43
TPSA
18.46

LogP / Solubility

WLOGP
2.69
MLOGP
2.38
XLogP3
2.69
Consensus LogP
2.59
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.37
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)
-2.34

Drug-likeness / Medicinal Chemistry

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

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