CAS RN: 618914-44-6
N-N-BUTYL-AZA-2,2-DIMETHOXYSILACYCLOPENTANE
Product Availability
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3 package records2 with current stock2 grade groups
- Product code: starshine_CAS618914-44-6
- Purity/Analytical Methods: >99.0%
618914-44-6 / 1-butyl-2,2-dimethoxyazasilolidine
Basic Information
CAS
618914-44-6
Multi CAS
Yes
Molecular Formula
C9H21NO2Si
Molecular Weight
203.350000
Exact Mass
203.134155
InChI
InChI=1S/C9H21NO2Si/c1-4-5-7-10-8-6-9-13(10,11-2)12-3/h4-9H2,1-3H3
InChIKey
HMXFDVVLNOFCHW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
55.68
TPSA
21.7
LogP / Solubility
WLOGP
1.72
MLOGP
1.52
XLogP3
1.72
Consensus LogP
1.65
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
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)
-2.74
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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