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CAS 6826-96-6 4-Amino-3-cyanopyrazolo[3,4-d]pyrimidine molecular structure lightbox
CAS RN: 6826-96-6

4-Amino-3-cyanopyrazolo[3,4-d]pyrimidine

  • Product code: SSC-177976
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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 6826-96-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

6826-96-6 / 4-amino-2H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile

Standard CAS: 6826-96-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6826-96-6
Multi CAS
Yes
Molecular Formula
C6H4N6
Molecular Weight
160.140000
Exact Mass
160.049744
InChI
InChI=1S/C6H4N6/c7-1-3-4-5(8)9-2-10-6(4)12-11-3/h2H,(H3,8,9,10,11,12)
InChIKey
ICJGLLYLYKFWDA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
5
H-bond donors
2
Molar refractivity
40.81
TPSA
104.27

LogP / Solubility

WLOGP
-0.19
MLOGP
-0.17
XLogP3
-0.1
Consensus LogP
-0.15
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-0.73
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.54
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
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)
-3.83

Drug-likeness / Medicinal Chemistry

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

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