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CAS 59938-40-8 3-bromoimidazo[1,2-a]pyridine-2-carbaldehyde molecular structure lightbox
CAS RN: 59938-40-8

3-bromoimidazo[1,2-a]pyridine-2-carbaldehyde

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250119 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS59938-40-8
  • Purity/Analytical Methods: >99.0%
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59938-40-8 / 3-bromoimidazo[1,2-a]pyridine-2-carbaldehyde

Standard CAS: 59938-40-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
59938-40-8
Multi CAS
No
Molecular Formula
BC8H5ORn2
Molecular Weight
225.040000
Exact Mass
223.958530
InChI
InChI=1S/C8H5BrN2O/c9-8-6(5-12)10-7-3-1-2-4-11(7)8/h1-5H
InChIKey
VNMNVHMREWEMQR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
48.28
TPSA
34.37

LogP / Solubility

WLOGP
1.91
MLOGP
1.68
XLogP3
2.6
Consensus LogP
2.06
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
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)
-2.74

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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