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CAS 17878-37-4 1-borom-2-(trimethylsilyl)benzene molecular structure lightbox
CAS RN: 17878-37-4

1-borom-2-(trimethylsilyl)benzene

  • Product code: SSC-079556
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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 17878-37-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

17878-37-4 / (2-bromophenyl)-trimethylsilane

Standard CAS: 17878-37-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17878-37-4
Multi CAS
No
Molecular Formula
C9H13BrSi
Molecular Weight
229.190000
Exact Mass
227.996990
SMILES
C[Si](C)(C)C1=CC=CC=C1Br
InChI
InChI=1S/C9H13BrSi/c1-11(2,3)9-7-5-4-6-8(9)10/h4-7H,1-3H3
InChIKey
UOSFTLNRCKHHNU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
Molar refractivity
57.12
TPSA
0.0000

LogP / Solubility

WLOGP
2.99
MLOGP
2.64
XLogP3
2.99
Consensus LogP
2.87
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
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)
-1.99

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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