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CAS 5279-32-3 5,6-Dibromo-1,3-benzodioxole molecular structure lightbox
CAS RN: 5279-32-3

5,6-Dibromo-1,3-benzodioxole

  • Product code: SSC-159923
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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: 25g
  • Available purity: ≥98%
  • 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 5279-32-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Shenzhen Inquiry

5279-32-3 / 5,6-dibromo-1,3-benzodioxole

Standard CAS: 5279-32-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5279-32-3
Multi CAS
Yes
Molecular Formula
C7H4BR2O2
Molecular Weight
279.910000
Exact Mass
279.855760
InChI
InChI=1S/C7H4Br2O2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-2H,3H2
InChIKey
WPYAICCSYGUFTK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
Molar refractivity
47.97
TPSA
18.46

LogP / Solubility

WLOGP
2.94
MLOGP
2.6
XLogP3
3.1
Consensus LogP
2.88
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
Class (SILICOS-IT)
Poorly 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)
-2.34

Drug-likeness / Medicinal Chemistry

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

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