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CAS 1186608-71-8 3-BroMo-1H-pyrazolo[3,4-b]pyridin-5-aMine molecular structure lightbox
CAS RN: 1186608-71-8

3-BroMo-1H-pyrazolo[3,4-b]pyridin-5-aMine

Product Availability

Choose a grade to view its available package options.

5 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250402 100mg In stock Shanghai Inquiry
Batchno.20250110 1g Out of stock Inquiry
Batchno.20251009 250mg In stock Shanghai Inquiry
Batchno.20260513 50mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20260611 5g Out of stock Inquiry
  • Product code: SSC-018543
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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: 1g
  • 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 1186608-71-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1186608-71-8 / 3-bromo-2H-pyrazolo[3,4-b]pyridin-5-amine

3-Bromo-1H-pyrazolo[3,4-b]pyridin-5-amine | 3-bromo-2H-pyrazolo[3,4-b]pyridin-5-amine | MFCD13193613

Standard CAS: 1186608-71-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1186608-71-8
Multi CAS
No
Molecular Formula
C6H5BrN4
Molecular Weight
213.030000
Exact Mass
211.969760
SMILES
C1=C(C=NC2=NNC(=C21)Br)N
InChI
InChI=1S/C6H5BrN4/c7-5-4-1-3(8)2-9-6(4)11-10-5/h1-2H,8H2,(H,9,10,11)
InChIKey
TXAFYEDQYAQTFQ-UHFFFAOYSA-N
Synonyms
3-Bromo-1H-pyrazolo[3,4-b]pyridin-5-amine 3-bromo-2H-pyrazolo[3,4-b]pyridin-5-amine MFCD13193613 3-Bromo-1H-pyrazolo[3 pound not4-b]pyridin-5-amine SCHEMBL1593590

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
1.2
Consensus LogP
1.22
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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