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CAS 896160-69-3 3-BROMO-2,5-DIAMINOPYRIDINE molecular structure lightbox
CAS RN: 896160-69-3

3-BROMO-2,5-DIAMINOPYRIDINE

  • Product code: SSC-201646
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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: 5g
  • 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 896160-69-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

896160-69-3 / 3-bromopyridine-2,5-diamine

Standard CAS: 896160-69-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
896160-69-3
Multi CAS
No
Molecular Formula
BC5H6Rn3
Molecular Weight
188.030000
Exact Mass
186.974510
InChI
InChI=1S/C5H6BrN3/c6-4-1-3(7)2-9-5(4)8/h1-2H,7H2,(H2,8,9)
InChIKey
YJENCMIONVUOCW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
40.76
TPSA
64.93

LogP / Solubility

WLOGP
1.01
MLOGP
0.89
XLogP3
0.5
Consensus LogP
0.8
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
Class (SILICOS-IT)
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)
-3.15

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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