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CAS 728864-61-7 6-CHLORO-2-METHYL-IMIDAZO[1,2-A]PYRIDINE-3-CARBALDEHYDE molecular structure lightbox
CAS RN: 728864-61-7

6-CHLORO-2-METHYL-IMIDAZO[1,2-A]PYRIDINE-3-CARBALDEHYDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260327 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS728864-61-7
  • Purity/Analytical Methods: >99.0%
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728864-61-7 / 6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbaldehyde

Standard CAS: 728864-61-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
728864-61-7
Multi CAS
No
Molecular Formula
C9H7CLN2O
Molecular Weight
194.620000
Exact Mass
194.024691
InChI
InChI=1S/C9H7ClN2O/c1-6-8(5-13)12-4-7(10)2-3-9(12)11-6/h2-5H,1H3
InChIKey
MSIOZCNTINYVID-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
50.33
TPSA
34.37

LogP / Solubility

WLOGP
2.11
MLOGP
1.85
XLogP3
2.6
Consensus LogP
2.19
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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)
-2.41

Drug-likeness / Medicinal Chemistry

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

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