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CAS 1186608-83-2 3-BroMo-5-nitro-1H-pyrazo… molecular structure lightbox
CAS RN: 1186608-83-2

3-BroMo-5-nitro-1H-pyrazo…

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250815 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250126 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20251008 1g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20250930 250mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250803 5g In stock Shanghai Inquiry
  • Product code: SSC-018545
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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: ≥95%
  • 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 1186608-83-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1186608-83-2 / 3-bromo-5-nitro-2H-pyrazolo[3,4-b]pyridine

3-Bromo-5-nitro-1H-pyrazolo[3,4-b]pyridine | 3-bromo-5-nitro-2H-pyrazolo[3,4-b]pyridine | MFCD13193610

Standard CAS: 1186608-83-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1186608-83-2
Multi CAS
No
Molecular Formula
C6H3BrN4O2
Molecular Weight
243.020000
Exact Mass
241.943940
SMILES
C1=C(C=NC2=NNC(=C21)Br)[N+](=O)[O-]
InChI
InChI=1S/C6H3BrN4O2/c7-5-4-1-3(11(12)13)2-8-6(4)10-9-5/h1-2H,(H,8,9,10)
InChIKey
KUKTUBBDMTVCMV-UHFFFAOYSA-N
Synonyms
3-Bromo-5-nitro-1H-pyrazolo[3,4-b]pyridine 3-bromo-5-nitro-2H-pyrazolo[3,4-b]pyridine MFCD13193610 SCHEMBL1496184 SCHEMBL30908092

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.24
TPSA
84.71

LogP / Solubility

WLOGP
1.63
MLOGP
1.44
XLogP3
1.7
Consensus LogP
1.59
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.05

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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