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CAS 39073-07-9 2,7-Dibromodibenzo[b,e][1,4]dioxin molecular structure lightbox
CAS RN: 39073-07-9

2,7-Dibromodibenzo[b,e][1,4]dioxin

  • Product code: SSC-146673
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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: 0.25g
  • Available purity: ≥97%
  • 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 39073-07-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 0 Out of Stock Shenzhen Inquiry

39073-07-9 / 2,7-dibromodibenzo-p-dioxin

Standard CAS: 39073-07-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
39073-07-9
Multi CAS
No
Molecular Formula
C12H6BR2O2
Molecular Weight
341.980000
Exact Mass
341.871410
InChI
InChI=1S/C12H6Br2O2/c13-7-1-3-9-11(5-7)16-10-4-2-8(14)6-12(10)15-9/h1-6H
InChIKey
FPZRQZSGNKQNMF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
H-bond acceptors
2
Molar refractivity
68.43
TPSA
18.46

LogP / Solubility

WLOGP
5.11
MLOGP
4.51
XLogP3
4.4
Consensus LogP
4.67
Log S (ESOL)
-5.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.12
Class (SILICOS-IT)
Insoluble

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)
-1.18

Drug-likeness / Medicinal Chemistry

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

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