CAS RN: 3068-78-8
3-(N-CYCLOHEXYLAMINO)PROPYLTRIMETHOXYSILANE
Product Availability
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3 package records0 with current stock1 grade group
- Product code: starshine_CAS3068-78-8
- Purity/Analytical Methods: >99.0%
3068-78-8 / N-(3-trimethoxysilylpropyl)cyclohexanamine
Basic Information
CAS
3068-78-8
Multi CAS
Yes
Molecular Formula
C12H27NO3Si
Molecular Weight
261.430000
Exact Mass
261.176020
InChI
InChI=1S/C12H27NO3Si/c1-14-17(15-2,16-3)11-7-10-13-12-8-5-4-6-9-12/h12-13H,4-11H2,1-3H3
InChIKey
KGNDVXPHQJMHLX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
1
Molar refractivity
71.08
TPSA
39.72
LogP / Solubility
WLOGP
2.18
MLOGP
1.92
XLogP3
2.18
Consensus LogP
2.09
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.13
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77
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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