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CAS 926624-52-4 1,4-Dioxane, 2-(2-bromoethyl)- molecular structure lightbox
CAS RN: 926624-52-4

1,4-Dioxane, 2-(2-bromoethyl)-

  • Product code: SSC-206472
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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 926624-52-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

926624-52-4 / 2-(2-bromoethyl)-1,4-dioxane

Standard CAS: 926624-52-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
926624-52-4
Multi CAS
No
Molecular Formula
C6H11BRO2
Molecular Weight
195.050000
Exact Mass
193.994240
InChI
InChI=1S/C6H11BrO2/c7-2-1-6-5-8-3-4-9-6/h6H,1-5H2
InChIKey
HGRCYYVHIILPMN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
38.97
TPSA
18.46

LogP / Solubility

WLOGP
1.19
MLOGP
1.04
XLogP3
0.9
Consensus LogP
1.04
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
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)
-3.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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