CAS RN: 96464-10-7

2-(4-BROMOPHENYL)-6-CHLOROIMIDAZO[1,2-A]PYRIDINE

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  • Product code: starshine_CAS96464-10-7
  • Purity/Analytical Methods: >99.0%
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96464-10-7 / 2-(4-bromophenyl)-6-chloroimidazo[1,2-a]pyridine

Standard CAS: 96464-10-7 Multi CAS: No

Basic Information

CAS
96464-10-7
Multi CAS
No
Molecular Formula
C13H8BRCLN2
Molecular Weight
307.570000
Exact Mass
305.955940
InChI
InChI=1S/C13H8BrClN2/c14-10-3-1-9(2-4-10)12-8-17-7-11(15)5-6-13(17)16-12/h1-8H
InChIKey
AYRHYFIXKCKMIK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
73.34
TPSA
17.3

LogP / Solubility

WLOGP
4.42
MLOGP
3.9
XLogP3
4.7
Consensus LogP
4.34
Log S (ESOL)
-5.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.45
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.46

Drug-likeness / Medicinal Chemistry

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

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