CAS RN: 334521-23-2
(11-Azidoundecyl)trimethoxysilane
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: ICTA2783
- Purity/Analytical Methods: >93.0%(GC)
334521-23-2 / 11-azidoundecyl(trimethoxy)silane
Basic Information
CAS
334521-23-2
Multi CAS
No
Molecular Formula
C14H31N3O3Si
Molecular Weight
317.500000
Exact Mass
317.213468
InChI
InChI=1S/C14H31N3O3Si/c1-18-21(19-2,20-3)14-12-10-8-6-4-5-7-9-11-13-16-17-15/h4-14H2,1-3H3
InChIKey
ACSJXAKDVNDMME-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
1
Rotatable bonds
15
H-bond acceptors
4
Molar refractivity
87.15
TPSA
76.45
LogP / Solubility
WLOGP
4.69
MLOGP
4.14
XLogP3
4.69
Consensus LogP
4.51
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.41
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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