CAS RN: 3672-39-7

2-PHENYL-IMIDAZO[1,2-A]PYRIDINE-3-CARBALDEHYDE

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  • Product code: starshine_CAS3672-39-7
  • Purity/Analytical Methods: >99.0%
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3672-39-7 / 2-phenylimidazo[1,2-a]pyridine-3-carbaldehyde

Standard CAS: 3672-39-7 Multi CAS: No

Basic Information

CAS
3672-39-7
Multi CAS
No
Molecular Formula
C14H10N2O
Molecular Weight
222.240000
Exact Mass
222.079313
InChI
InChI=1S/C14H10N2O/c17-10-12-14(11-6-2-1-3-7-11)15-13-8-4-5-9-16(12)13/h1-10H
InChIKey
GDQWGRMPXASNTI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
66.02
TPSA
34.37

LogP / Solubility

WLOGP
2.81
MLOGP
2.48
XLogP3
3.2
Consensus LogP
2.83
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
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)
-2.08

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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