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CAS 88139-92-8 5-bromo-2-(((tert-butyldimethylsilyl)oxy)methyl)pyridine molecular structure lightbox
CAS RN: 88139-92-8

5-bromo-2-(((tert-butyldimethylsilyl)oxy)methyl)pyridine

  • Product code: SSC-198615
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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: 5g
  • 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 88139-92-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

88139-92-8 / (5-bromo-2-pyridinyl)methoxy-tert-butyl-dimethylsilane

Standard CAS: 88139-92-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
88139-92-8
Multi CAS
No
Molecular Formula
BC12H20ORnSi
Molecular Weight
302.280000
Exact Mass
301.049750
InChI
InChI=1S/C12H20BrNOSi/c1-12(2,3)16(4,5)15-9-11-7-6-10(13)8-14-11/h6-8H,9H2,1-5H3
InChIKey
RQWUXKJRTKREAL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
73.92
TPSA
22.12

LogP / Solubility

WLOGP
4.37
MLOGP
3.85
XLogP3
4.37
Consensus LogP
4.2
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.61
Class (SILICOS-IT)
Slightly soluble

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)
-1.46

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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