![CAS 2227272-86-6 6-Iodo-8-phenylimidazo[1,2-a]pyrazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2227272-86-6.gif)
CAS RN: 2227272-86-6
6-Iodo-8-phenylimidazo[1,2-a]pyrazine
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.20250825 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2227272-86-6
- Purity/Analytical Methods: >99.0%
2227272-86-6 / 6-iodo-8-phenylimidazo[1,2-a]pyrazine
Basic Information
CAS
2227272-86-6
Multi CAS
No
Molecular Formula
C12H8IN3
Molecular Weight
321.120000
Exact Mass
320.976290
SMILES
C1=CC=C(C=C1)C2=NC(=CN3C2=NC=C3)I
InChI
InChI=1S/C12H8IN3/c13-10-8-16-7-6-14-12(16)11(15-10)9-4-2-1-3-5-9/h1-8H
InChIKey
OHYIYYSBSHTMBH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
71.14
TPSA
30.19
LogP / Solubility
WLOGP
3
MLOGP
2.66
XLogP3
3
Consensus LogP
2.89
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
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)
-2.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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