![CAS 2201049-54-7 Imidazo[1,2-a]pyrazine, 6-bromo-8-[(3-fluorophenyl)methyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2201049-54-7.gif)
CAS RN: 2201049-54-7
Imidazo[1,2-a]pyrazine, 6-bromo-8-[(3-fluorophenyl)methyl]-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250428 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2201049-54-7
- Purity/Analytical Methods: >99.0%
2201049-54-7 / 6-bromo-8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazine
Basic Information
CAS
2201049-54-7
Multi CAS
No
Molecular Formula
C13H9BrFN3
Molecular Weight
306.130000
Exact Mass
304.996390
SMILES
C1=CC(=CC(=C1)F)CC2=NC(=CN3C2=NC=C3)Br
InChI
InChI=1S/C13H9BrFN3/c14-12-8-18-5-4-16-13(18)11(17-12)7-9-2-1-3-10(15)6-9/h1-6,8H,7H2
InChIKey
GTGQLQJJYAEGQI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
69.89
TPSA
30.19
LogP / Solubility
WLOGP
3.22
MLOGP
2.85
XLogP3
3.8
Consensus LogP
3.29
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.3
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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