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CAS 1370008-37-9 8-bromo-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-4-one molecular structure lightbox
CAS RN: 1370008-37-9

8-bromo-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-4-one

  • Product code: SSC-046511
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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: 10g
  • 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 1370008-37-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry

1370008-37-9 / 8-bromo-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one

Standard CAS: 1370008-37-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1370008-37-9
Multi CAS
No
Molecular Formula
C5H3BrN4O
Molecular Weight
215.010000
Exact Mass
213.949020
SMILES
C1=NN2C(=C1Br)N=CNC2=O
InChI
InChI=1S/C5H3BrN4O/c6-3-1-9-10-4(3)7-2-8-5(10)11/h1-2H,(H,7,8,11)
InChIKey
DTPAGDAWKRYTPJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
41.31
TPSA
63.05

LogP / Solubility

WLOGP
0.18
MLOGP
0.16
XLogP3
0.5
Consensus LogP
0.28
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
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)
-3.9

Drug-likeness / Medicinal Chemistry

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

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