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CAS 957120-36-4 8-Bromo-5-methylimidazo[1,2-a]pyridine, HCl molecular structure lightbox
CAS RN: 957120-36-4

8-Bromo-5-methylimidazo[1,2-a]pyridine, HCl

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3 package records0 with current stock2 grade groups
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  • Product code: starshine_CAS957120-36-4
  • Purity/Analytical Methods: >99.0%
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957120-36-4 / 8-bromo-5-methylimidazo[1,2-a]pyridine;hydrochloride

Standard CAS: 957120-36-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
957120-36-4
Multi CAS
No
Molecular Formula
C8H8BRCLN2
Molecular Weight
247.520000
Exact Mass
245.955940
InChI
InChI=1S/C8H7BrN2.ClH/c1-6-2-3-7(9)8-10-4-5-11(6)8;/h2-5H,1H3;1H
InChIKey
XDXQVISKIZXMLN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.88
TPSA
17.3

LogP / Solubility

WLOGP
2.83
MLOGP
2.49
XLogP3
2.83
Consensus LogP
2.72
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
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)
-2.22

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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