CAS RN: 53883-61-7
P-fluorophenyltriMethoxysilane
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS53883-61-7
- Purity/Analytical Methods: >99.0%
53883-61-7 / (4-fluorophenyl)-trimethoxysilane
Basic Information
CAS
53883-61-7
Multi CAS
No
Molecular Formula
C9FH13O3Si
Molecular Weight
216.280000
Exact Mass
216.061799
InChI
InChI=1S/C9H13FO3Si/c1-11-14(12-2,13-3)9-6-4-8(10)5-7-9/h4-7H,1-3H3
InChIKey
YZKWHKGWYCDOMG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
52.82
TPSA
27.69
LogP / Solubility
WLOGP
0.91
MLOGP
0.8
XLogP3
0.91
Consensus LogP
0.87
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.3
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)
-3.39
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
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