CAS RN: 3931-68-8

5-ChloroiMidazo[1,2-a]pyridine hydrochloride

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  • Product code: starshine_CAS3931-68-8
  • Purity/Analytical Methods: >99.0%
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3931-68-8 / 5-chloroimidazo[1,2-a]pyridine;hydrochloride

Standard CAS: 3931-68-8 Multi CAS: No

Basic Information

CAS
3931-68-8
Multi CAS
No
Molecular Formula
C7H6CL2N2
Molecular Weight
189.040000
Exact Mass
187.990804
InChI
InChI=1S/C7H5ClN2.ClH/c8-6-2-1-3-7-9-4-5-10(6)7;/h1-5H;1H
InChIKey
HDGYDQGPMRUIQO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.45
TPSA
17.3

LogP / Solubility

WLOGP
2.41
MLOGP
2.12
XLogP3
2.41
Consensus LogP
2.31
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-2.16

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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