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CAS 1250115-39-9 2-Amino-6-bromo-3H-imidazo[4,5-b]pyridine molecular structure lightbox
CAS RN: 1250115-39-9

2-Amino-6-bromo-3H-imidazo[4,5-b]pyridine

  • Product code: SSC-029452
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1250115-39-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shanghai Inquiry
0.25g ≥95% 5 In Stock Shenzhen Inquiry
1g ≥95% 4 In Stock Shenzhen Inquiry
5g ≥95% 2 In Stock Hong Kong Inquiry

1250115-39-9 / 6-bromo-1H-imidazo[4,5-b]pyridin-2-amine

Standard CAS: 1250115-39-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1250115-39-9
Multi CAS
No
Molecular Formula
C6H5BrN4
Molecular Weight
213.030000
Exact Mass
211.969760
SMILES
C1=C(C=NC2=C1NC(=N2)N)Br
InChI
InChI=1S/C6H5BrN4/c7-3-1-4-5(9-2-3)11-6(8)10-4/h1-2H,(H3,8,9,10,11)
InChIKey
GORQWQZKRKREQI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
2
Molar refractivity
46
TPSA
67.59

LogP / Solubility

WLOGP
1.3
MLOGP
1.15
XLogP3
1.1
Consensus LogP
1.18
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately 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)
-3.09

Drug-likeness / Medicinal Chemistry

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

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