CAS RN: 23184-28-3

N,N-Dimethyl-2-(trimethylsilyl)acetamide

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  • Product code: starshine_CAS23184-28-3
  • Purity/Analytical Methods: >99.0%
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23184-28-3 / N,N-dimethyl-2-trimethylsilylacetamide

Standard CAS: 23184-28-3 Multi CAS: No

Basic Information

CAS
23184-28-3
Multi CAS
No
Molecular Formula
C7H17NOSi
Molecular Weight
159.300000
Exact Mass
159.107941
SMILES
CN(C)C(=O)C[Si](C)(C)C
InChI
InChI=1S/C7H17NOSi/c1-8(2)7(9)6-10(3,4)5/h6H2,1-5H3
InChIKey
XHZOOXCBXCLEGI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
46.85
TPSA
20.31

LogP / Solubility

WLOGP
1.41
MLOGP
1.24
XLogP3
1.41
Consensus LogP
1.35
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.11
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)
-2.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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