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CAS 878198-71-1 2-(CHLOROMETHYL)-5-FLUOROIMIDAZO[1,2-A]PYRIDINE molecular structure lightbox
CAS RN: 878198-71-1

2-(CHLOROMETHYL)-5-FLUOROIMIDAZO[1,2-A]PYRIDINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260427 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS878198-71-1
  • Purity/Analytical Methods: >99.0%
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878198-71-1 / 2-(chloromethyl)-5-fluoroimidazo[1,2-a]pyridine

Standard CAS: 878198-71-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
878198-71-1
Multi CAS
No
Molecular Formula
C8H6CLFN2
Molecular Weight
184.600000
Exact Mass
184.020354
InChI
InChI=1S/C8H6ClFN2/c9-4-6-5-12-7(10)2-1-3-8(12)11-6/h1-3,5H,4H2
InChIKey
JFIIICGKUFLQNF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
44.71
TPSA
17.3

LogP / Solubility

WLOGP
2.21
MLOGP
1.94
XLogP3
2.6
Consensus LogP
2.25
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-2.28

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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