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CAS 52066-00-9 2-Amino-1,3,5-triazino[1,2-a]benzimidazol-4(3H)-one molecular structure lightbox
CAS RN: 52066-00-9

2-Amino-1,3,5-triazino[1,2-a]benzimidazol-4(3H)-one

  • Product code: SSC-159128
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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: 5g
  • 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 52066-00-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

52066-00-9 / 2-amino-3H-[1,3,5]triazino[1,2-a]benzimidazol-4-one

Standard CAS: 52066-00-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
52066-00-9
Multi CAS
No
Molecular Formula
C9H7N5O
Molecular Weight
201.180000
Exact Mass
201.065060
InChI
InChI=1S/C9H7N5O/c10-7-12-8-11-5-3-1-2-4-6(5)14(8)9(15)13-7/h1-4H,(H3,10,11,12,13,15)
InChIKey
UKGARTSGHYCLTN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
13
H-bond acceptors
5
H-bond donors
2
Molar refractivity
55.53
TPSA
89.07

LogP / Solubility

WLOGP
0.15
MLOGP
0.13
XLogP3
0.4
Consensus LogP
0.23
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-1.32
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.09
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.84

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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