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CAS 86589-72-2 3-(Piperidin-4-yl)benzo[d][1,2,3]triazin-4(3H)-one molecular structure lightbox
CAS RN: 86589-72-2

3-(Piperidin-4-yl)benzo[d][1,2,3]triazin-4(3H)-one

  • Product code: SSC-195771
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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: 0.25g
  • 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 86589-72-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

86589-72-2 / 3-piperidin-4-yl-1,2,3-benzotriazin-4-one

Standard CAS: 86589-72-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
86589-72-2
Multi CAS
No
Molecular Formula
C12H14N4O
Molecular Weight
230.270000
Exact Mass
230.116761
InChI
InChI=1S/C12H14N4O/c17-12-10-3-1-2-4-11(10)14-15-16(12)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2
InChIKey
FNUDOMNRDIVCCE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
64.94
TPSA
59.81

LogP / Solubility

WLOGP
0.72
MLOGP
0.63
XLogP3
1
Consensus LogP
0.78
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
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)
-3.62

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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