CAS RN: 880339-31-1
3-(Triethoxysilyl)propyl 2-Bromo-2-methylpropanoate
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: ICTT3846
- Purity/Analytical Methods: >93.0%(GC)
880339-31-1 / 3-triethoxysilylpropyl 2-bromo-2-methylpropanoate
Basic Information
CAS
880339-31-1
Multi CAS
No
Molecular Formula
C13H27BRO5SI
Molecular Weight
371.340000
Exact Mass
370.081110
InChI
InChI=1S/C13H27BrO5Si/c1-6-17-20(18-7-2,19-8-3)11-9-10-16-12(15)13(4,5)14/h6-11H2,1-5H3
InChIKey
HRBDELVBHOGZRM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.92
Rotatable bonds
11
H-bond acceptors
5
Molar refractivity
84.02
TPSA
53.99
LogP / Solubility
WLOGP
3.14
MLOGP
2.79
XLogP3
3.14
Consensus LogP
3.02
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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