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CAS 68618-36-0 1H-PYRAZOLO[3,4-B]PYRIDINE, 3-BROMO- molecular structure lightbox
CAS RN: 68618-36-0

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

Product Availability

Choose a grade to view its available package options.

9 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260128 10g Out of stock Inquiry
Batchno.20250731 1g In stock Inquiry
Batchno.20250310 25g In stock Inquiry
Batchno.20251105 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250601 100g Out of stock Inquiry
Batchno.20260604 10g In stock Shanghai Inquiry
Batchno.20250325 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20260613 25g In stock Shanghai Inquiry
Batchno.20250902 5g In stock Shanghai Inquiry
  • Product code: SSC-178332
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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, 10g, 25g
  • Available purity: ＞97%
  • 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 68618-36-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry
10g ＞97% 0 Out of Stock Shenzhen Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

68618-36-0 / 3-bromo-2H-pyrazolo[3,4-b]pyridine

Standard CAS: 68618-36-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
68618-36-0
Multi CAS
No
Molecular Formula
BC6H4Rn3
Molecular Weight
198.020000
Exact Mass
196.958860
InChI
InChI=1S/C6H4BrN3/c7-5-4-2-1-3-8-6(4)10-9-5/h1-3H,(H,8,9,10)
InChIKey
ZGHQNXGPKYUHJW-UHFFFAOYSA-N

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
1.8
Consensus LogP
1.68
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

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