![CAS 1211524-21-8 3-(tert-butyl)-8-chloro-1-iodoimidazo[1,5-a]pyrazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1211524-21-8.gif)
CAS RN: 1211524-21-8
3-(tert-butyl)-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.20260518 | 25mg / 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1211524-21-8
- Purity/Analytical Methods: >99.0%
1211524-21-8 / 3-tert-butyl-8-chloro-1-iodoimidazo[1,5-a]pyrazine
3-(tert-butyl)-8-chloro-1-iodoimidazo[1,5-a]pyrazine | 3-TERT-BUTYL-8-CHLORO-1-IODOIMIDAZO[1,5-A]PYRAZINE | MFCD20489129
Basic Information
CAS
1211524-21-8
Multi CAS
No
Molecular Formula
C10H11ClIN3
Molecular Weight
335.570000
Exact Mass
334.968620
SMILES
CC(C)(C)C1=NC(=C2N1C=CN=C2Cl)I
InChI
InChI=1S/C10H11ClIN3/c1-10(2,3)9-14-8(12)6-7(11)13-4-5-15(6)9/h4-5H,1-3H3
InChIKey
WHTPOYPIRLUVIM-UHFFFAOYSA-N
Synonyms
3-(tert-butyl)-8-chloro-1-iodoimidazo[1,5-a]pyrazine
3-TERT-BUTYL-8-CHLORO-1-IODOIMIDAZO[1,5-A]PYRAZINE
MFCD20489129
C10H11ClIN3
AKOS027423934
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
69.41
TPSA
30.19
LogP / Solubility
WLOGP
3.28
MLOGP
2.91
XLogP3
4.1
Consensus LogP
3.43
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
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)
-2.43
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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