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CAS 5334-99-6 1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 1-methyl- (9CI) molecular structure lightbox
CAS RN: 5334-99-6

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

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251006 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-160640
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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 5334-99-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

5334-99-6 / 1-methylpyrazolo[3,4-d]pyrimidin-4-amine

Standard CAS: 5334-99-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5334-99-6
Multi CAS
Yes
Molecular Formula
C6H7N5
Molecular Weight
149.150000
Exact Mass
149.070145
InChI
InChI=1S/C6H7N5/c1-11-6-4(2-10-11)5(7)8-3-9-6/h2-3H,1H3,(H2,7,8,9)
InChIKey
JBMTUXVKTGBMLE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.17
H-bond acceptors
5
H-bond donors
1
Molar refractivity
40.72
TPSA
69.62

LogP / Solubility

WLOGP
-0.05
MLOGP
-0.05
XLogP3
-0.2
Consensus LogP
-0.1
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-0.74
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.58
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)
-3.67

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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