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CAS 40972-42-7 3,6-Dichloroimidazo[1,2-b]pyridazine molecular structure lightbox
CAS RN: 40972-42-7

3,6-Dichloroimidazo[1,2-b]pyridazine

  • Product code: SSC-149367
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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: ＞97%
  • 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 40972-42-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

40972-42-7 / 3,6-dichloroimidazo[1,2-b]pyridazine

Standard CAS: 40972-42-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
40972-42-7
Multi CAS
Yes
Molecular Formula
C6H3CL2N3
Molecular Weight
188.010000
Exact Mass
186.970403
InChI
InChI=1S/C6H3Cl2N3/c7-4-1-2-6-9-3-5(8)11(6)10-4/h1-3H
InChIKey
XBVAHZQOAPNIQY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
43.01
TPSA
30.19

LogP / Solubility

WLOGP
2.04
MLOGP
1.79
XLogP3
2.2
Consensus LogP
2.01
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42

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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