CAS RN: 174219-86-4

T-BUTYLAMINOPROPYLTRIMETHOXYSILANE

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  • Product code: starshine_CAS174219-86-4
  • Purity/Analytical Methods: >99.0%
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174219-86-4 / 2-methyl-N-(3-trimethoxysilylpropyl)propan-2-amine

Standard CAS: 174219-86-4 Multi CAS: No

Basic Information

CAS
174219-86-4
Multi CAS
No
Molecular Formula
C10H25NO3Si
Molecular Weight
235.400000
Exact Mass
235.160370
SMILES
CC(C)(C)NCCC[Si](OC)(OC)OC
InChI
InChI=1S/C10H25NO3Si/c1-10(2,3)11-8-7-9-15(12-4,13-5)14-6/h11H,7-9H2,1-6H3
InChIKey
QXULZQKARBZMBR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.96
TPSA
39.72

LogP / Solubility

WLOGP
1.64
MLOGP
1.45
XLogP3
1.64
Consensus LogP
1.58
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.39
Class (SILICOS-IT)
Poorly 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)
-2.99

Drug-likeness / Medicinal Chemistry

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

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