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CAS 16956-91-5 1,4-BIS(TRIMETHYLSILYL)TETRAFLUOROBENZENE molecular structure lightbox
CAS RN: 16956-91-5

1,4-BIS(TRIMETHYLSILYL)TETRAFLUOROBENZENE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250626 1g In stock Shanghai Inquiry
Batchno.20260218 250mg In stock Shanghai Inquiry
Batchno.20251018 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS16956-91-5
  • Purity/Analytical Methods: >99.0%
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16956-91-5 / trimethyl-(2,3,5,6-tetrafluoro-4-trimethylsilylphenyl)silane

Standard CAS: 16956-91-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16956-91-5
Multi CAS
No
Molecular Formula
C12H18F4Si2
Molecular Weight
294.430000
Exact Mass
294.088316
SMILES
C[Si](C)(C)C1=C(C(=C(C(=C1F)F)[Si](C)(C)C)F)F
InChI
InChI=1S/C12H18F4Si2/c1-17(2,3)11-7(13)9(15)12(18(4,5)6)10(16)8(11)14/h1-6H3
InChIKey
RIGHSQASRZUCPK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
72.23
TPSA
0.0000

LogP / Solubility

WLOGP
3.33
MLOGP
2.94
XLogP3
3.33
Consensus LogP
3.2
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
Class (SILICOS-IT)
Slightly 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)
-2.15

Drug-likeness / Medicinal Chemistry

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

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