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CAS 116834-96-9 1H-Pyrazolo[3,4-b]pyridine,3-methyl-(9CI) molecular structure lightbox
CAS RN: 116834-96-9

1H-Pyrazolo[3,4-b]pyridine,3-methyl-(9CI)

Product Availability

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6 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250609 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250723 100g Out of stock Inquiry
Batchno.20251204 10g Out of stock Inquiry
Batchno.20251027 1g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20260323 25g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260113 5g In stock Shanghai Inquiry
  • Product code: SSC-016724
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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: 10g
  • 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 116834-96-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shenzhen Inquiry

116834-96-9 / 3-methyl-2H-pyrazolo[3,4-b]pyridine

3-methyl-1H-pyrazolo[3,4-b]pyridine | DTXSID50441964 | 3-methyl-1H-pyrazolo(3,4-b)pyridine

Standard CAS: 116834-96-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
116834-96-9
Multi CAS
No
Molecular Formula
C7H7N3
Molecular Weight
133.150000
Exact Mass
133.063997
SMILES
CC1=C2C=CC=NC2=NN1
InChI
InChI=1S/C7H7N3/c1-5-6-3-2-4-8-7(6)10-9-5/h2-4H,1H3,(H,8,9,10)
InChIKey
STHBHEYNLYNJAM-UHFFFAOYSA-N
Synonyms
3-methyl-1H-pyrazolo[3,4-b]pyridine DTXSID50441964 3-methyl-1H-pyrazolo(3,4-b)pyridine RefChem:280692 DTXCID50392785

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.63
TPSA
41.57

LogP / Solubility

WLOGP
1.27
MLOGP
1.11
XLogP3
1.2
Consensus LogP
1.19
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
Class (SILICOS-IT)
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)
-2.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): 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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