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CAS 63725-52-0 6-chloro-1-Methyl-1H-pyrazolo[3,4-b]pyridine molecular structure lightbox
CAS RN: 63725-52-0

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

  • Product code: SSC-173480
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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: ＞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 63725-52-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

63725-52-0 / 6-chloro-1-methylpyrazolo[5,4-b]pyridine

Standard CAS: 63725-52-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
63725-52-0
Multi CAS
No
Molecular Formula
C7H6CLN3
Molecular Weight
167.590000
Exact Mass
167.025025
InChI
InChI=1S/C7H6ClN3/c1-11-7-5(4-9-11)2-3-6(8)10-7/h2-4H,1H3
InChIKey
WQYAKZVLTOWKQB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
43.52
TPSA
30.71

LogP / Solubility

WLOGP
1.62
MLOGP
1.42
XLogP3
1.8
Consensus LogP
1.61
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.1
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)
-2.59

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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