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CAS 7057-22-9 1H-Pyrazolo[4,3-d]pyrimidin-7-amine, 3-methyl- (9CI) molecular structure lightbox
CAS RN: 7057-22-9

1H-Pyrazolo[4,3-d]pyrimidin-7-amine, 3-methyl- (9CI)

  • Product code: SSC-180323
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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: 0.1g
  • 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 7057-22-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

7057-22-9 / 3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine

Standard CAS: 7057-22-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7057-22-9
Multi CAS
Yes
Molecular Formula
C6H7N5
Molecular Weight
149.150000
Exact Mass
149.070145
InChI
InChI=1S/C6H7N5/c1-3-4-5(11-10-3)6(7)9-2-8-4/h2H,1H3,(H,10,11)(H2,7,8,9)
InChIKey
CKQUGJFXOKFYKJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.17
H-bond acceptors
4
H-bond donors
2
Molar refractivity
40.83
TPSA
80.48

LogP / Solubility

WLOGP
0.24
MLOGP
0.21
Consensus LogP
0.15
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.83
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)
-3.46

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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