CAS RN: 68440-71-1
Siloxanes and Silicones, di-Me, Me 3-(oxiranylmethoxy)propyl
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- Product code: starshine_CAS68440-71-1
- Purity/Analytical Methods: >99.0%
68440-71-1 / methoxy-methyl-[3-[3-(oxiran-2-yl)propoxy]propyl]-trimethylsilyloxysilane
Basic Information
CAS
68440-71-1
Multi CAS
No
Molecular Formula
C13H30O4Si2
Molecular Weight
306.540000
Exact Mass
306.168263
InChI
InChI=1S/C13H30O4Si2/c1-14-19(5,17-18(2,3)4)11-7-10-15-9-6-8-13-12-16-13/h13H,6-12H2,1-5H3
InChIKey
OUVRKJFVRKJOBP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
1
Rotatable bonds
11
H-bond acceptors
4
Molar refractivity
82.28
TPSA
40.22
LogP / Solubility
WLOGP
3.14
MLOGP
2.78
XLogP3
3.14
Consensus LogP
3.02
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.58
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
