CAS RN: 18297-63-7
N,N’-Bis(trimethylsilyl)urea
Product Availability
Choose a grade to view its available package options.
7 package records2 with current stock2 grade groups
- Product code: ICTB1103
- Purity/Analytical Methods: >98.0%(N)
18297-63-7 / 1,3-bis(trimethylsilyl)urea
Basic Information
CAS
18297-63-7
Multi CAS
No
Molecular Formula
C7H20N2OSi2
Molecular Weight
204.420000
Exact Mass
204.111416
SMILES
C[Si](C)(C)NC(=O)N[Si](C)(C)C
InChI
InChI=1S/C7H20N2OSi2/c1-11(2,3)8-7(10)9-12(4,5)6/h1-6H3,(H2,8,9,10)
InChIKey
MASDFXZJIDNRTR-UHFFFAOYSA-N
Physical Properties
Physical Description
Solid; [IUCLID] White or yellow solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
58.36
TPSA
41.13
LogP / Solubility
WLOGP
1.96
MLOGP
1.72
XLogP3
1.96
Consensus LogP
1.88
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
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)
-2.58
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
Safety & Transport
Pictogram(s)
Flammable
Signal
Danger
GHS Hazard Statements
H228 (91.1%): Flammable solid [Danger Flammable solids]
Precautionary Statement Codes
P210, P240, P241, P280, and P370+P378
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