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CAS 1416551-60-4 8-Chloro-7-iodo-2-methyl-imidazo[1,2-a]pyridine molecular structure lightbox
CAS RN: 1416551-60-4

8-Chloro-7-iodo-2-methyl-imidazo[1,2-a]pyridine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251103 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1416551-60-4
  • Purity/Analytical Methods: >99.0%
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1416551-60-4 / 8-chloro-7-iodo-2-methylimidazo[1,2-a]pyridine

Standard CAS: 1416551-60-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1416551-60-4
Multi CAS
No
Molecular Formula
C8H6ClIN2
Molecular Weight
292.500000
Exact Mass
291.926420
SMILES
CC1=CN2C=CC(=C(C2=N1)Cl)I
InChI
InChI=1S/C8H6ClIN2/c1-5-4-12-3-2-6(10)7(9)8(12)11-5/h2-4H,1H3
InChIKey
TXKFAMRPXPSKBE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
57.66
TPSA
17.3

LogP / Solubility

WLOGP
2.9
MLOGP
2.56
XLogP3
3.4
Consensus LogP
2.95
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.97
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)
-2.44

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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