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CAS 312-92-5 1-(Trimethylsilyl)-2-(trifluoromethyl)benzene molecular structure lightbox
CAS RN: 312-92-5

1-(Trimethylsilyl)-2-(trifluoromethyl)benzene

  • Product code: SSC-136471
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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 312-92-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

312-92-5 / trimethyl-[2-(trifluoromethyl)phenyl]silane

Standard CAS: 312-92-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
312-92-5
Multi CAS
No
Molecular Formula
C10F3H13Si
Molecular Weight
218.290000
Exact Mass
218.073861
InChI
InChI=1S/C10H13F3Si/c1-14(2,3)9-7-5-4-6-8(9)10(11,12)13/h4-7H,1-3H3
InChIKey
MKAUETBYNMSKAN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
54.42
TPSA
0.0000

LogP / Solubility

WLOGP
3.25
MLOGP
2.86
XLogP3
3.25
Consensus LogP
3.12
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
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)
-1.74

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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