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CAS 1276056-73-5 6-methyl-1H-pyrazolo[3,4-d]pyrimidine molecular structure lightbox
CAS RN: 1276056-73-5

6-methyl-1H-pyrazolo[3,4-d]pyrimidine

  • Product code: SSC-035115
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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 1276056-73-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1276056-73-5 / 6-methyl-1H-pyrazolo[3,4-d]pyrimidine

Standard CAS: 1276056-73-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1276056-73-5
Multi CAS
No
Molecular Formula
C6H6N4
Molecular Weight
134.140000
Exact Mass
134.059246
SMILES
CC1=NC=C2C=NNC2=N1
InChI
InChI=1S/C6H6N4/c1-4-7-2-5-3-8-10-6(5)9-4/h2-3H,1H3,(H,7,8,9,10)
InChIKey
DOMOUWJGODANHH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
Fraction Csp3
0.17
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.42
TPSA
54.46

LogP / Solubility

WLOGP
0.66
MLOGP
0.57
XLogP3
0.6
Consensus LogP
0.61
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.08
Class (SILICOS-IT)
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)
-3.07

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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