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CAS 1417985-25-1 (1H-Pyrazolo[3,4-b]pyridin-4-yl)boronic acid molecular structure lightbox
CAS RN: 1417985-25-1

(1H-Pyrazolo[3,4-b]pyridin-4-yl)boronic acid

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260623 100mg In stock Inquiry
Batchno.20250227 1g In stock Inquiry
Batchno.20251125 250mg In stock Inquiry
  • Product code: SSC-052481
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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 1417985-25-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1417985-25-1 / 1H-pyrazolo[5,4-b]pyridin-5-ylboronic acid

Standard CAS: 1417985-25-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1417985-25-1
Multi CAS
No
Molecular Formula
C6H6BN3O2
Molecular Weight
162.940000
Exact Mass
163.055307
SMILES
B(C1=CC2=C(NN=C2)N=C1)(O)O
InChI
InChI=1S/C6H6BN3O2/c11-7(12)5-1-4-2-9-10-6(4)8-3-5/h1-3,11-12H,(H,8,9,10)
InChIKey
JXIUBXRQKVVTPI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
43.71
TPSA
82.03

LogP / Solubility

WLOGP
-1.36
MLOGP
-1.2
XLogP3
-1.36
Consensus LogP
-1.31
Log S (ESOL)
-0.48
Class (ESOL)
Very soluble
Log S (Ali)
0.09
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.29
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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