![CAS 1417334-55-4 6-Bromo-8-(trifluoromethyl)imidazo[1,2-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1417334-55-4.gif)
CAS RN: 1417334-55-4
6-Bromo-8-(trifluoromethyl)imidazo[1,2-a]pyridine
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS1417334-55-4
- Purity/Analytical Methods: >99.0%
1417334-55-4 / 6-bromo-8-(trifluoromethyl)imidazo[1,2-a]pyridine
Basic Information
CAS
1417334-55-4
Multi CAS
No
Molecular Formula
C8H4BrF3N2
Molecular Weight
265.030000
Exact Mass
263.951000
SMILES
C1=CN2C=C(C=C(C2=N1)C(F)(F)F)Br
InChI
InChI=1S/C8H4BrF3N2/c9-5-3-6(8(10,11)12)7-13-1-2-14(7)4-5/h1-4H
InChIKey
JZVYHKXYTNZPJN-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
47.89
TPSA
17.3
LogP / Solubility
WLOGP
3.12
MLOGP
2.75
XLogP3
3.3
Consensus LogP
3.06
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly 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)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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