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CAS 211615-79-1 4-bromo-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazole molecular structure lightbox
CAS RN: 211615-79-1

4-bromo-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazole

  • Product code: SSC-101085
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.05g, 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 211615-79-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥95% 5 In Stock Hong Kong Inquiry
0.1g ≥95% 5 In Stock Shenzhen Inquiry
0.25g ≥95% 5 In Stock Shanghai Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry

211615-79-1 / 2-[(4-bromoimidazol-1-yl)methoxy]ethyl-trimethylsilane

Standard CAS: 211615-79-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
211615-79-1
Multi CAS
No
Molecular Formula
C9H17BrN2OSi
Molecular Weight
277.230000
Exact Mass
276.029350
SMILES
C[Si](C)(C)CCOCN1C=C(N=C1)Br
InChI
InChI=1S/C9H17BrN2OSi/c1-14(2,3)5-4-13-8-12-6-9(10)11-7-12/h6-7H,4-5,8H2,1-3H3
InChIKey
QZQNLDDEEOOPRK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
64.03
TPSA
27.05

LogP / Solubility

WLOGP
2.96
MLOGP
2.61
XLogP3
2.96
Consensus LogP
2.84
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.52
Class (SILICOS-IT)
Slightly 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)
-2.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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