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CAS 189116-20-9 IMidazo[1,2-a]pyridine, 6-chloro-2-(trifluoroMethyl)- molecular structure lightbox
CAS RN: 189116-20-9

IMidazo[1,2-a]pyridine, 6-chloro-2-(trifluoroMethyl)-

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Batchno.20260227 100mg / 250mg / 500mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS189116-20-9
  • Purity/Analytical Methods: >99.0%
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189116-20-9 / 6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridine

Standard CAS: 189116-20-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
189116-20-9
Multi CAS
No
Molecular Formula
C8H4ClF3N2
Molecular Weight
220.580000
Exact Mass
220.001510
SMILES
C1=CC2=NC(=CN2C=C1Cl)C(F)(F)F
InChI
InChI=1S/C8H4ClF3N2/c9-5-1-2-7-13-6(8(10,11)12)4-14(7)3-5/h1-4H
InChIKey
NRZYRLQVLCUDQH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
45.2
TPSA
17.3

LogP / Solubility

WLOGP
3.01
MLOGP
2.65
XLogP3
3.3
Consensus LogP
2.99
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
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)
-1.93

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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