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CAS 1357945-44-8 IMidazo[1,2-a]pyridin-8-aMine, 7-broMo- molecular structure lightbox
CAS RN: 1357945-44-8

IMidazo[1,2-a]pyridin-8-aMine, 7-broMo-

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5 package records4 with current stock2 grade groups
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Batchno.20260216 100mg / 500mg Out of stock 5-7 business days Inquiry
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  • Product code: starshine_CAS1357945-44-8
  • Purity/Analytical Methods: >99.0%
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1357945-44-8 / 7-bromoimidazo[1,2-a]pyridin-8-amine

Standard CAS: 1357945-44-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1357945-44-8
Multi CAS
No
Molecular Formula
C7H6BrN3
Molecular Weight
212.050000
Exact Mass
210.974510
SMILES
C1=CN2C=CN=C2C(=C1Br)N
InChI
InChI=1S/C7H6BrN3/c8-5-1-3-11-4-2-10-7(11)6(5)9/h1-4H,9H2
InChIKey
YYZDRTPQVBZADT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.3
TPSA
43.32

LogP / Solubility

WLOGP
1.68
MLOGP
1.48
XLogP3
1.8
Consensus LogP
1.65
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-2.82

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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