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CAS 453548-65-7 1-Imidazo[1,2-b]pyridazin-3-ylethanone molecular structure lightbox
CAS RN: 453548-65-7

1-Imidazo[1,2-b]pyridazin-3-ylethanone

  • Product code: SSC-153099
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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 453548-65-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

453548-65-7 / 1-imidazo[1,2-b]pyridazin-3-ylethanone

Standard CAS: 453548-65-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
453548-65-7
Multi CAS
Yes
Molecular Formula
C8H7N3O
Molecular Weight
161.160000
Exact Mass
161.058912
InChI
InChI=1S/C8H7N3O/c1-6(12)7-5-9-8-3-2-4-10-11(7)8/h2-5H,1H3
InChIKey
CVVDMUYJTWFLAW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
42.99
TPSA
47.26

LogP / Solubility

WLOGP
0.93
MLOGP
0.82
XLogP3
0.3
Consensus LogP
0.68
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
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)
-3.04

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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