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CAS 1289042-52-9 IMidazo[1,2-a]pyridine, 8-broMo-3-nitro- molecular structure lightbox
CAS RN: 1289042-52-9

IMidazo[1,2-a]pyridine, 8-broMo-3-nitro-

  • Product code: SSC-036034
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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 1289042-52-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shenzhen Inquiry
0.25g >95% 5 In Stock Shanghai Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
5g >95% 5 In Stock Shanghai Inquiry

1289042-52-9 / 8-bromo-3-nitroimidazo[1,2-a]pyridine

Standard CAS: 1289042-52-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1289042-52-9
Multi CAS
No
Molecular Formula
C7H4BrN3O2
Molecular Weight
242.030000
Exact Mass
240.948690
SMILES
C1=CN2C(=CN=C2C(=C1)Br)[N+](=O)[O-]
InChI
InChI=1S/C7H4BrN3O2/c8-5-2-1-3-10-6(11(12)13)4-9-7(5)10/h1-4H
InChIKey
QVWSYJTXGMBMSW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
49.55
TPSA
60.44

LogP / Solubility

WLOGP
2
MLOGP
1.77
XLogP3
2.6
Consensus LogP
2.12
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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