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CAS 84539-50-4 N-(2,6-DIBROMOPYRIDIN-3-YL)-N-METHYLAMINE molecular structure lightbox
CAS RN: 84539-50-4

N-(2,6-DIBROMOPYRIDIN-3-YL)-N-METHYLAMINE

  • Product code: SSC-192052
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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 84539-50-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

84539-50-4 / 2,6-dibromo-N-methylpyridin-3-amine

Standard CAS: 84539-50-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
84539-50-4
Multi CAS
No
Molecular Formula
C6H6BR2N2
Molecular Weight
265.930000
Exact Mass
265.887720
InChI
InChI=1S/C6H6Br2N2/c1-9-4-2-3-5(7)10-6(4)8/h2-3,9H,1H3
InChIKey
GNZAMGYWQVVOSR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.18
TPSA
24.92

LogP / Solubility

WLOGP
2.65
MLOGP
2.34
XLogP3
2.9
Consensus LogP
2.63
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.46

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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