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CAS 1357945-16-4 IMidazo[1,2-a]pyridine, 8-broMo-7-chloro- molecular structure lightbox
CAS RN: 1357945-16-4

IMidazo[1,2-a]pyridine, 8-broMo-7-chloro-

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Batchno.20260625 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1357945-16-4
  • Purity/Analytical Methods: >99.0%
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1357945-16-4 / 8-bromo-7-chloroimidazo[1,2-a]pyridine

Standard CAS: 1357945-16-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1357945-16-4
Multi CAS
No
Molecular Formula
C7H4BrClN2
Molecular Weight
231.480000
Exact Mass
229.924640
SMILES
C1=CN2C=CN=C2C(=C1Cl)Br
InChI
InChI=1S/C7H4BrClN2/c8-6-5(9)1-3-11-4-2-10-7(6)11/h1-4H
InChIKey
NQCZCANANJFWOP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
Molar refractivity
47.9
TPSA
17.3

LogP / Solubility

WLOGP
2.75
MLOGP
2.42
XLogP3
3.1
Consensus LogP
2.76
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
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)
-2.18

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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