CAS RN: 885276-03-9

8-CHLORO-IMIDAZO[1,2-A]PYRIDINE-2-CARBALDEHYDE

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  • Product code: starshine_CAS885276-03-9
  • Purity/Analytical Methods: >99.0%
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885276-03-9 / 8-chloroimidazo[1,2-a]pyridine-2-carbaldehyde

Standard CAS: 885276-03-9 Multi CAS: No

Basic Information

CAS
885276-03-9
Multi CAS
No
Molecular Formula
C8H5CLN2O
Molecular Weight
180.590000
Exact Mass
180.009041
InChI
InChI=1S/C8H5ClN2O/c9-7-2-1-3-11-4-6(5-12)10-8(7)11/h1-5H
InChIKey
DOUNHSLYQSQWRL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
45.59
TPSA
34.37

LogP / Solubility

WLOGP
1.8
MLOGP
1.58
XLogP3
2.2
Consensus LogP
1.86
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
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)
-2.54

Drug-likeness / Medicinal Chemistry

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

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