69430-24-6 / 2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-trioxatrisilinane
Basic Information
CAS
69430-24-6
Multi CAS
Yes
Molecular Formula
C6H18O3Si3
Molecular Weight
222.460000
Exact Mass
222.056374
InChI
InChI=1S/C6H18O3Si3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h1-6H3
InChIKey
HTDJPCNNEPUOOQ-UHFFFAOYSA-N
Physical Properties
Physical Description
Liquid
White solid; [EPA - TSCATS] Crystals
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
H-bond acceptors
3
Molar refractivity
55.7
TPSA
27.69
LogP / Solubility
WLOGP
2.16
MLOGP
1.9
XLogP3
2.16
Consensus LogP
2.07
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately 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)
-2.55
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
