CAS RN: 67592-37-4
4-Cyclooctenyl Trimethoxysilane
Product Availability
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2 package records1 with current stock2 grade groups
- Product code: starshine_CAS67592-37-4
- Purity/Analytical Methods: >99.0%
67592-37-4 / cyclooct-4-en-1-yl(trimethoxy)silane
Basic Information
CAS
67592-37-4
Multi CAS
Yes
Molecular Formula
C11H22O3Si
Molecular Weight
230.380000
Exact Mass
230.133821
InChI
InChI=1S/C11H22O3Si/c1-12-15(13-2,14-3)11-9-7-5-4-6-8-10-11/h4-5,11H,6-10H2,1-3H3
InChIKey
KZPUVYZACVLAQO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.82
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
62.76
TPSA
27.69
LogP / Solubility
WLOGP
2.76
MLOGP
2.43
XLogP3
2.76
Consensus LogP
2.65
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
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)
-2.17
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
2
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