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CAS 1234616-23-9 6-BROMOIMIDAZO[1,2-B]PYRIDAZINE-3-CARBALDEHYDE molecular structure lightbox
CAS RN: 1234616-23-9

6-BROMOIMIDAZO[1,2-B]PYRIDAZINE-3-CARBALDEHYDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260126 100mg / 250mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS1234616-23-9
  • Purity/Analytical Methods: >99.0%
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1234616-23-9 / 6-bromoimidazo[1,2-b]pyridazine-3-carbaldehyde

Standard CAS: 1234616-23-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1234616-23-9
Multi CAS
No
Molecular Formula
C7H4BrN3O
Molecular Weight
226.030000
Exact Mass
224.953770
SMILES
C1=CC(=NN2C1=NC=C2C=O)Br
InChI
InChI=1S/C7H4BrN3O/c8-6-1-2-7-9-3-5(4-12)11(7)10-6/h1-4H
InChIKey
DVOWBRXCIMGCHJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
46.07
TPSA
47.26

LogP / Solubility

WLOGP
1.3
MLOGP
1.15
XLogP3
1.1
Consensus LogP
1.18
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
Class (SILICOS-IT)
Moderately 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)
-3.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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