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CAS 87736-74-1 [(4-Bromobenzyl)oxy](tert-butyl)dimethylsilane molecular structure lightbox
CAS RN: 87736-74-1

[(4-Bromobenzyl)oxy](tert-butyl)dimethylsilane

  • Product code: SSC-197995
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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: 100g
  • 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 87736-74-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shenzhen Inquiry

87736-74-1 / (4-bromophenyl)methoxy-tert-butyl-dimethylsilane

Standard CAS: 87736-74-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
87736-74-1
Multi CAS
Yes
Molecular Formula
C13H21BROSI
Molecular Weight
301.290000
Exact Mass
300.054500
InChI
InChI=1S/C13H21BrOSi/c1-13(2,3)16(4,5)15-10-11-6-8-12(14)9-7-11/h6-9H,10H2,1-5H3
InChIKey
OURCJXVOBHLREF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
76.13
TPSA
9.23

LogP / Solubility

WLOGP
4.97
MLOGP
4.39
XLogP3
4.97
Consensus LogP
4.78
Log S (ESOL)
-4.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.1
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.03

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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