CAS RN: 558-63-4

di-t-butyldifluorosilane

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250609 1g Out of stock 30 business days Inquiry
  • Product code: starshine_CAS558-63-4
  • Purity/Analytical Methods: >99.0%
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558-63-4 / ditert-butyl(difluoro)silane

Standard CAS: 558-63-4 Multi CAS: No

Basic Information

CAS
558-63-4
Multi CAS
No
Molecular Formula
C8F2H18Si
Molecular Weight
180.310000
Exact Mass
180.114583
InChI
InChI=1S/C8H18F2Si/c1-7(2,3)11(9,10)8(4,5)6/h1-6H3
InChIKey
WGAZDTADWBWCGU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
47.4
TPSA
0.0000

LogP / Solubility

WLOGP
3.97
MLOGP
3.49
XLogP3
3.97
Consensus LogP
3.81
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.13
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1

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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