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CAS 26429-41-4 1,2-DibroMo-3-nitrobenzene molecular structure lightbox
CAS RN: 26429-41-4

1,2-DibroMo-3-nitrobenzene

  • Product code: SSC-124166
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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 26429-41-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

26429-41-4 / 1,2-dibromo-3-nitrobenzene

Standard CAS: 26429-41-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26429-41-4
Multi CAS
No
Molecular Formula
C6H3Br2NO2
Molecular Weight
280.900000
Exact Mass
280.851000
InChI
InChI=1S/C6H3Br2NO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H
InChIKey
LPOQWSWPRAGSBK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
48.5
TPSA
43.14

LogP / Solubility

WLOGP
3.12
MLOGP
2.76
XLogP3
3.2
Consensus LogP
3.03
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.2
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)
-2.22

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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