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CAS 1823870-96-7 6-Iodo-5-methyl-imidazo[1,2-a]pyridine molecular structure lightbox
CAS RN: 1823870-96-7

6-Iodo-5-methyl-imidazo[1,2-a]pyridine

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Batchno.20251025 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1823870-96-7
  • Purity/Analytical Methods: >99.0%
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1823870-96-7 / 6-iodo-5-methylimidazo[1,2-a]pyridine

Standard CAS: 1823870-96-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1823870-96-7
Multi CAS
No
Molecular Formula
C8H7IN2
Molecular Weight
258.060000
Exact Mass
257.965400
SMILES
CC1=C(C=CC2=NC=CN12)I
InChI
InChI=1S/C8H7IN2/c1-6-7(9)2-3-8-10-4-5-11(6)8/h2-5H,1H3
InChIKey
PJHLVOADGHQRGA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
52.65
TPSA
17.3

LogP / Solubility

WLOGP
2.25
MLOGP
1.98
XLogP3
2.8
Consensus LogP
2.34
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
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)
-2.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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