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CAS 428854-24-4 2-[1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine molecular structure lightbox
CAS RN: 428854-24-4

2-[1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine

  • Product code: SSC-151183
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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 428854-24-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

428854-24-4 / 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine

Standard CAS: 428854-24-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
428854-24-4
Multi CAS
No
Molecular Formula
C17FH15N8
Molecular Weight
350.400000
Exact Mass
350.140371
InChI
InChI=1S/C17H15FN8/c18-11-6-2-1-4-9(11)8-26-17-10(5-3-7-22-17)13(25-26)16-23-14(20)12(19)15(21)24-16/h1-7H,8,19H2,(H4,20,21,23,24)
InChIKey
RCKYXYXLIJBCOE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
21
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
3
Molar refractivity
97.29
TPSA
134.55

LogP / Solubility

WLOGP
1.82
MLOGP
1.62
XLogP3
1.1
Consensus LogP
1.51
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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