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CAS 1782248-22-9 6-bromo-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid molecular structure lightbox
CAS RN: 1782248-22-9

6-bromo-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250901 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1782248-22-9
  • Purity/Analytical Methods: >99.0%
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1782248-22-9 / 6-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid

Standard CAS: 1782248-22-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1782248-22-9
Multi CAS
No
Molecular Formula
C7H4BrN3O2
Molecular Weight
242.030000
Exact Mass
240.948690
SMILES
C1=CC(=NC2=NNC(=C21)C(=O)O)Br
InChI
InChI=1S/C7H4BrN3O2/c8-4-2-1-3-5(7(12)13)10-11-6(3)9-4/h1-2H,(H,12,13)(H,9,10,11)
InChIKey
FUJNTBZOHBYMTJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.55
TPSA
78.87

LogP / Solubility

WLOGP
1.42
MLOGP
1.25
XLogP3
1.7
Consensus LogP
1.46
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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)
-3.19

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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