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CAS 1369326-01-1 4-BroMo-6-Methyl-1H-pyrazolo[3,4-b]pyridine molecular structure lightbox
CAS RN: 1369326-01-1

4-BroMo-6-Methyl-1H-pyrazolo[3,4-b]pyridine

  • Product code: SSC-046328
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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: 0.25g
  • 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 1369326-01-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shenzhen Inquiry

1369326-01-1 / 4-bromo-6-methyl-1H-pyrazolo[3,4-b]pyridine

Standard CAS: 1369326-01-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1369326-01-1
Multi CAS
No
Molecular Formula
C7H6BrN3
Molecular Weight
212.050000
Exact Mass
210.974510
SMILES
CC1=CC(=C2C=NNC2=N1)Br
InChI
InChI=1S/C7H6BrN3/c1-4-2-6(8)5-3-9-11-7(5)10-4/h2-3H,1H3,(H,9,10,11)
InChIKey
IHPLRMNZEAPFQB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.33
TPSA
41.57

LogP / Solubility

WLOGP
2.03
MLOGP
1.79
XLogP3
1.9
Consensus LogP
1.91
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately 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)
-2.57

Drug-likeness / Medicinal Chemistry

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

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