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CAS 117007-52-0 3-Iodo-7-aza-1H-azaindazole molecular structure lightbox
CAS RN: 117007-52-0

3-Iodo-7-aza-1H-azaindazole

Product Availability

Choose a grade to view its available package options.

7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250424 100g In stock Shanghai Inquiry
Batchno.20250622 10g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250621 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250824 25g In stock Shanghai, Tianjin Inquiry
Batchno.20250630 500g Out of stock Inquiry
Batchno.20260610 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250809 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-016848
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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: 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 117007-52-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry

117007-52-0 / 3-iodo-2H-pyrazolo[3,4-b]pyridine

3-iodo-1H-pyrazolo[3,4-b]pyridine | 3-iodo-1H-pyrazolo(3,4-b)pyridine | RefChem:280017

Standard CAS: 117007-52-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
117007-52-0
Multi CAS
Yes
Molecular Formula
C6H4IN3
Molecular Weight
245.020000
Exact Mass
244.944990
SMILES
C1=CC2=C(NN=C2N=C1)I
InChI
InChI=1S/C6H4IN3/c7-5-4-2-1-3-8-6(4)10-9-5/h1-3H,(H,8,9,10)
InChIKey
TYXAGVKIICJXGF-UHFFFAOYSA-N
Synonyms
3-iodo-1H-pyrazolo[3,4-b]pyridine 3-iodo-1H-pyrazolo(3,4-b)pyridine RefChem:280017 808-304-2 3-iodo-2H-pyrazolo[3,4-b]pyridine

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.61
TPSA
41.57

LogP / Solubility

WLOGP
1.56
MLOGP
1.38
XLogP3
1.5
Consensus LogP
1.48
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
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)
-3.11

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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