CAS RN: 2224-33-1
Vinyltris(methylethylketoxime)silane
Product Availability
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2 package records0 with current stock1 grade group
- Product code: starshine_CAS2224-33-1
- Purity/Analytical Methods: >99.0%
2224-33-1 / N-[bis[(butan-2-ylideneamino)oxy]-ethenylsilyl]oxybutan-2-imine
Basic Information
CAS
2224-33-1
Multi CAS
No
Molecular Formula
C14H27N3O3Si
Molecular Weight
313.470000
Exact Mass
313.182168
SMILES
CCC(=NO[Si](C=C)(ON=C(C)CC)ON=C(C)CC)C
InChI
InChI=1S/C14H27N3O3Si/c1-8-12(5)15-18-21(11-4,19-16-13(6)9-2)20-17-14(7)10-3/h11H,4,8-10H2,1-3,5-7H3
InChIKey
WXWYJCSIHQKADM-UHFFFAOYSA-N
Physical Properties
Physical Description
Liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.64
Rotatable bonds
10
H-bond acceptors
6
Molar refractivity
89.41
TPSA
64.77
LogP / Solubility
WLOGP
4.06
MLOGP
3.58
XLogP3
4.06
Consensus LogP
3.9
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.27
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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