![CAS 1211591-21-7 8-CHLORO-1-IODOIMIDAZO[1,5-A]PYRAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1211591-21-7.gif)
CAS RN: 1211591-21-7
8-CHLORO-1-IODOIMIDAZO[1,5-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.20250720 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1211591-21-7
- Purity/Analytical Methods: >99.0%
1211591-21-7 / 8-chloro-1-iodoimidazo[1,5-a]pyrazine
8-CHLORO-1-IODOIMIDAZO[1,5-A]PYRAZINE | MFCD23703403 | SCHEMBL25259811
Basic Information
CAS
1211591-21-7
Multi CAS
No
Molecular Formula
C6H3ClIN3
Molecular Weight
279.460000
Exact Mass
278.906020
SMILES
C1=CN2C=NC(=C2C(=N1)Cl)I
InChI
InChI=1S/C6H3ClIN3/c7-5-4-6(8)10-3-11(4)2-1-9-5/h1-3H
InChIKey
IRJAAQWXXBTIPY-UHFFFAOYSA-N
Synonyms
8-CHLORO-1-IODOIMIDAZO[1,5-A]PYRAZINE
MFCD23703403
SCHEMBL25259811
8-chloro-1-iodo-imidazo[1,5-a]pyrazine
BS-53155
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
50.71
TPSA
30.19
LogP / Solubility
WLOGP
1.99
MLOGP
1.76
XLogP3
2.4
Consensus LogP
2.05
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly 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)
-3.01
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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