CAS RN: 87794-64-7

3-AMINOPROPYLTRIS(METHOXYETHOXYETHOXY)SILANE

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4 package records4 with current stock2 grade groups
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  • Product code: starshine_CAS87794-64-7
  • Purity/Analytical Methods: >99.0%
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87794-64-7 / 3-[tris[2-(2-methoxyethoxy)ethoxy]silyl]propan-1-amine

Standard CAS: 87794-64-7 Multi CAS: Yes

Basic Information

CAS
87794-64-7
Multi CAS
Yes
Molecular Formula
C18H41NO9Si
Molecular Weight
443.600000
Exact Mass
443.255058
InChI
InChI=1S/C18H41NO9Si/c1-20-6-9-23-12-15-26-29(18-4-5-19,27-16-13-24-10-7-21-2)28-17-14-25-11-8-22-3/h4-19H2,1-3H3
InChIKey
PJURIXUDYDHOMA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
1
Rotatable bonds
24
H-bond acceptors
10
H-bond donors
1
Molar refractivity
110.17
TPSA
109.09

LogP / Solubility

WLOGP
0.31
MLOGP
0.3
XLogP3
0.31
Consensus LogP
0.31
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.68
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)
-5.2

Drug-likeness / Medicinal Chemistry

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

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