CAS RN: 1427195-25-2

Imidazo[1,2-a]pyridin-7-ylamine dihydrochloride

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  • Product code: starshine_CAS1427195-25-2
  • Purity/Analytical Methods: >99.0%
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1427195-25-2 / imidazo[1,2-a]pyridin-7-amine;dihydrochloride

Standard CAS: 1427195-25-2 Multi CAS: No

Basic Information

CAS
1427195-25-2
Multi CAS
No
Molecular Formula
C7H9Cl2N3
Molecular Weight
206.070000
Exact Mass
205.017353
SMILES
C1=CN2C=CN=C2C=C1N.Cl.Cl
InChI
InChI=1S/C7H7N3.2ClH/c8-6-1-3-10-4-2-9-7(10)5-6;;/h1-5H,8H2;2*1H
InChIKey
CAOUJGAUYFSDDF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.1
TPSA
43.32

LogP / Solubility

WLOGP
1.76
MLOGP
1.55
XLogP3
1.76
Consensus LogP
1.69
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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)
-2.73

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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