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CAS 433257-41-1 3-Butyn-2-one, 1-bromo-4-(trimethylsilyl)- molecular structure lightbox
CAS RN: 433257-41-1

3-Butyn-2-one, 1-bromo-4-(trimethylsilyl)-

  • Product code: SSC-151584
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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 433257-41-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

433257-41-1 / 1-bromo-4-trimethylsilylbut-3-yn-2-one

Standard CAS: 433257-41-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
433257-41-1
Multi CAS
No
Molecular Formula
C7H11BROSI
Molecular Weight
219.150000
Exact Mass
217.976250
InChI
InChI=1S/C7H11BrOSi/c1-10(2,3)5-4-7(9)6-8/h6H2,1-3H3
InChIKey
AUXMRAOWTLDXNT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
49.92
TPSA
17.07

LogP / Solubility

WLOGP
1.83
MLOGP
1.61
XLogP3
1.83
Consensus LogP
1.76
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately 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)
-2.76

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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