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CAS 4656-86-4 1,5-dihydro-4H-imidazo[4,5-d]-1,2,3-triazin-4-one molecular structure lightbox
CAS RN: 4656-86-4

1,5-dihydro-4H-imidazo[4,5-d]-1,2,3-triazin-4-one

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251102 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-153907
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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 4656-86-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

4656-86-4 / 3,5-dihydroimidazo[4,5-d]triazin-4-one

Standard CAS: 4656-86-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4656-86-4
Multi CAS
Yes
Molecular Formula
C4H3N5O
Molecular Weight
137.100000
Exact Mass
137.033760
InChI
InChI=1S/C4H3N5O/c10-4-2-3(6-1-5-2)7-9-8-4/h1H,(H2,5,6,7,8,10)
InChIKey
BTERLCQQBYXVIN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
4
H-bond donors
2
Molar refractivity
32.3
TPSA
87.32

LogP / Solubility

WLOGP
-0.96
MLOGP
-0.85
XLogP3
0.2
Consensus LogP
-0.54
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
0.01
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.24
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-4.24

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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