CAS RN: 1033434-54-6

IMidazo[1,2-a]pyridine-8-carboxaldehyde, 3-broMo-

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  • Product code: starshine_CAS1033434-54-6
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1033434-54-6 / 3-bromoimidazo[1,2-a]pyridine-8-carbaldehyde

3-Bromoimidazo[1,2-a]pyridine-8-carbaldehyde | MFCD17016092 | 3-BROMO-IMIDAZO[1,2-A]PYRIDINE-8-CARBOXALDEHYDE

Standard CAS: 1033434-54-6 Multi CAS: No

Basic Information

CAS
1033434-54-6
Multi CAS
No
Molecular Formula
C8H5BrN2O
Molecular Weight
225.040000
Exact Mass
223.958530
SMILES
C1=CN2C(=CN=C2C(=C1)C=O)Br
InChI
InChI=1S/C8H5BrN2O/c9-7-4-10-8-6(5-12)2-1-3-11(7)8/h1-5H
InChIKey
XZWBSUPVXGPHMC-UHFFFAOYSA-N
Synonyms
3-Bromoimidazo[1,2-a]pyridine-8-carbaldehyde MFCD17016092 3-BROMO-IMIDAZO[1,2-A]PYRIDINE-8-CARBOXALDEHYDE IMidazo[1,2-a]pyridine-8-carboxaldehyde, 3-broMo- SCHEMBL2321738

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
2.2
Consensus LogP
1.93
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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