CAS RN: 91898-32-7
8-(tert-Butyldimethylsilanyloxy)-octan-1-ol
Product Availability
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4 package records0 with current stock1 grade group
- Product code: starshine_CAS91898-32-7
- Purity/Analytical Methods: >99.0%
91898-32-7 / 8-[tert-butyl(dimethyl)silyl]oxyoctan-1-ol
Basic Information
CAS
91898-32-7
Multi CAS
No
Molecular Formula
C14H32O2Si
Molecular Weight
260.490000
Exact Mass
260.217157
InChI
InChI=1S/C14H32O2Si/c1-14(2,3)17(4,5)16-13-11-9-7-6-8-10-12-15/h15H,6-13H2,1-5H3
InChIKey
LCRZHACTAVRQDY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
77.94
TPSA
29.46
LogP / Solubility
WLOGP
4.34
MLOGP
3.83
XLogP3
4.34
Consensus LogP
4.17
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.04
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.23
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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