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CAS 153357-87-0 TRIMETHYL(4-CHLORO-2-FLUOROPHENYL)SILANE 96%5-CHLORO-2-(TRIMETHYLSILYL)FLUOROBENZENE molecular structure lightbox
CAS RN: 153357-87-0

TRIMETHYL(4-CHLORO-2-FLUOROPHENYL)SILANE 96%5-CHLORO-2-(TRIMETHYLSILYL)FLUOROBENZENE

  • Product code: SSC-062838
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 153357-87-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

153357-87-0 / (4-chloro-2-fluorophenyl)-trimethylsilane

Standard CAS: 153357-87-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
153357-87-0
Multi CAS
No
Molecular Formula
C9H12ClFSi
Molecular Weight
202.730000
Exact Mass
202.038083
SMILES
C[Si](C)(C)C1=C(C=C(C=C1)Cl)F
InChI
InChI=1S/C9H12ClFSi/c1-12(2,3)9-5-4-7(10)6-8(9)11/h4-6H,1-3H3
InChIKey
TYARRMRNBUMCJT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
54.39
TPSA
0.0000

LogP / Solubility

WLOGP
3.02
MLOGP
2.66
XLogP3
3.02
Consensus LogP
2.9
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly 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)
-1.81

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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