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CAS 1299607-55-8 1-Boc-5-broMo-1H-pyrazolo[3,4-b]pyridine molecular structure lightbox
CAS RN: 1299607-55-8

1-Boc-5-broMo-1H-pyrazolo[3,4-b]pyridine

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260221 100mg In stock Shanghai Inquiry
Batchno.20251031 1g In stock Shanghai Inquiry
Batchno.20260212 250mg In stock Shanghai Inquiry
Batchno.20251102 5g In stock Shanghai Inquiry
  • Product code: SSC-036716
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1299607-55-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 5 In Stock Hong Kong Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
5g ≥95% 5 In Stock Hong Kong Inquiry

1299607-55-8 / tert-butyl 5-bromopyrazolo[3,4-b]pyridine-1-carboxylate

Standard CAS: 1299607-55-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1299607-55-8
Multi CAS
No
Molecular Formula
C11H12BrN3O2
Molecular Weight
298.140000
Exact Mass
297.011290
SMILES
CC(C)(C)OC(=O)N1C2=NC=C(C=C2C=N1)Br
InChI
InChI=1S/C11H12BrN3O2/c1-11(2,3)17-10(16)15-9-7(5-14-15)4-8(12)6-13-9/h4-6H,1-3H3
InChIKey
OJBWUSKWFSCYOG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
66.86
TPSA
57.01

LogP / Solubility

WLOGP
2.98
MLOGP
2.63
XLogP3
2.8
Consensus LogP
2.8
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42

Drug-likeness / Medicinal Chemistry

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

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