CAS RN: 1823456-51-4

5-Bromo-8-methoxy-imidazo[1,2-a]pyridine

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Batchno.20250430 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1823456-51-4
  • Purity/Analytical Methods: >99.0%
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1823456-51-4 / 5-bromo-8-methoxyimidazo[1,2-a]pyridine

Standard CAS: 1823456-51-4 Multi CAS: No

Basic Information

CAS
1823456-51-4
Multi CAS
No
Molecular Formula
C8H7BrN2O
Molecular Weight
227.060000
Exact Mass
225.974180
SMILES
COC1=CC=C(N2C1=NC=C2)Br
InChI
InChI=1S/C8H7BrN2O/c1-12-6-2-3-7(9)11-5-4-10-8(6)11/h2-5H,1H3
InChIKey
AZTBCFHFSHDIRZ-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
3
Molar refractivity
49.44
TPSA
26.53

LogP / Solubility

WLOGP
2.11
MLOGP
1.86
XLogP3
2.8
Consensus LogP
2.26
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61

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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