CAS RN: 67923-07-3
AMODIMETHICONE/SILSESQUIOXANE COPOLYMER
- Product code: BeautyPersonalHomeCare-802
67923-07-3 / N'-[3-[methoxy-[methoxy(dimethyl)silyl]oxy-methylsilyl]propyl]ethane-1,2-diamine
Basic Information
CAS
67923-07-3
Multi CAS
No
Molecular Formula
C10H28N2O3Si2
Molecular Weight
280.510000
Exact Mass
280.163846
InChI
InChI=1S/C10H28N2O3Si2/c1-13-16(3,4)15-17(5,14-2)10-6-8-12-9-7-11/h12H,6-11H2,1-5H3
InChIKey
LSHPSUXGNYHLHG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
2
Molar refractivity
75.55
TPSA
65.74
LogP / Solubility
WLOGP
1.01
MLOGP
0.9
XLogP3
1.01
Consensus LogP
0.97
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.52
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.72
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
