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CAS 89418-11-1 1H-Pyrazolo[3,4-d]pyrimidin-3-ol, 1-methyl- (7CI) molecular structure lightbox
CAS RN: 89418-11-1

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

  • Product code: SSC-201392
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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 89418-11-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

89418-11-1 / 1-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-one

Standard CAS: 89418-11-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89418-11-1
Multi CAS
No
Molecular Formula
C6H6N4O
Molecular Weight
150.140000
Exact Mass
150.054161
InChI
InChI=1S/C6H6N4O/c1-10-5-4(6(11)9-10)2-7-3-8-5/h2-3H,1H3,(H,9,11)
InChIKey
GOGWIEYQVGBUEO-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
1
Molar refractivity
39.13
TPSA
63.57

LogP / Solubility

WLOGP
-0.34
MLOGP
-0.31
XLogP3
-0.1
Consensus LogP
-0.25
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-0.54
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.35
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.88

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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