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CAS 1454814-05-1 3-BROMO-6-FLUOROIMIDAZO[1,2-B]PYRIDAZINE molecular structure lightbox
CAS RN: 1454814-05-1

3-BROMO-6-FLUOROIMIDAZO[1,2-B]PYRIDAZINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250810 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1454814-05-1
  • Purity/Analytical Methods: >99.0%
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1454814-05-1 / 3-bromo-6-fluoroimidazo[1,2-b]pyridazine

Standard CAS: 1454814-05-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1454814-05-1
Multi CAS
No
Molecular Formula
C6H3BrFN3
Molecular Weight
216.010000
Exact Mass
214.949440
SMILES
C1=CC(=NN2C1=NC=C2Br)F
InChI
InChI=1S/C6H3BrFN3/c7-4-3-9-6-2-1-5(8)10-11(4)6/h1-3H
InChIKey
ZWTGQNADSJRPIB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
40.65
TPSA
30.19

LogP / Solubility

WLOGP
1.63
MLOGP
1.44
XLogP3
1.8
Consensus LogP
1.62
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
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)
-2.88

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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