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CAS 1032943-43-3 4-BROMO-1H-PYRAZOLO[3,4-C]PYRIDINE molecular structure lightbox
CAS RN: 1032943-43-3

4-BROMO-1H-PYRAZOLO[3,4-C]PYRIDINE

  • Product code: SSC-004748
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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: 1g, 5g, 10g, 0.1g, 0.25g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 1032943-43-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Beijing Inquiry
5g >97% 5 In Stock Hong Kong Inquiry
10g >97% 3 In Stock Shenzhen Inquiry
0.1g >97% 2 In Stock Shenzhen Inquiry
0.25g >97% 2 In Stock Shenzhen Inquiry
25g >97% 2 In Stock Beijing Inquiry
100g >97% 0 Out of Stock Shanghai Inquiry

1032943-43-3 / 4-bromo-1H-pyrazolo[3,4-c]pyridine

4-BROMO-1H-PYRAZOLO[3,4-C]PYRIDINE | DTXSID90677341 | 4-Bromo-1H-Pyrazolo(3,4-C)Pyridine

Standard CAS: 1032943-43-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1032943-43-3
Multi CAS
No
Molecular Formula
C6H4BrN3
Molecular Weight
198.020000
Exact Mass
196.958860
SMILES
C1=C2C(=C(C=N1)Br)C=NN2
InChI
InChI=1S/C6H4BrN3/c7-5-2-8-3-6-4(5)1-9-10-6/h1-3H,(H,9,10)
InChIKey
KFGSMEJCZZYNNG-UHFFFAOYSA-N
Synonyms
4-BROMO-1H-PYRAZOLO[3,4-C]PYRIDINE DTXSID90677341 4-Bromo-1H-Pyrazolo(3,4-C)Pyridine RefChem:519064 DTXCID90628090

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.59
TPSA
41.57

LogP / Solubility

WLOGP
1.72
MLOGP
1.51
XLogP3
1.2
Consensus LogP
1.48
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501

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