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CAS 754214-54-5 1H-Pyrrolo[2,3-b]pyridine, 5-bromo-1-[(1,1-dimethylethyl)dimethylsilyl]- molecular structure lightbox
CAS RN: 754214-54-5

1H-Pyrrolo[2,3-b]pyridine, 5-bromo-1-[(1,1-dimethylethyl)dimethylsilyl]-

  • Product code: SSC-184884
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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 754214-54-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

754214-54-5 / (5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane

Standard CAS: 754214-54-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
754214-54-5
Multi CAS
Yes
Molecular Formula
BC13H19Rn2Si
Molecular Weight
311.290000
Exact Mass
310.050090
InChI
InChI=1S/C13H19BrN2Si/c1-13(2,3)17(4,5)16-7-6-10-8-11(14)9-15-12(10)16/h6-9H,1-5H3
InChIKey
WJPYOLVKLXHGIE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.46
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
80.03
TPSA
17.82

LogP / Solubility

WLOGP
4.65
MLOGP
4.11
XLogP3
4.65
Consensus LogP
4.47
Log S (ESOL)
-5.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.66
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.32

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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