CAS RN: 91416-90-9
2-AMINO-5-IODO-3-METHYLPYRAZINE
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.20250626 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS91416-90-9
- Purity/Analytical Methods: >99.0%
91416-90-9 / 5-iodo-3-methylpyrazin-2-amine
Basic Information
CAS
91416-90-9
Multi CAS
No
Molecular Formula
C5H6In3
Molecular Weight
235.030000
Exact Mass
234.960640
InChI
InChI=1S/C5H6IN3/c1-3-5(7)8-2-4(6)9-3/h2H,1H3,(H2,7,8)
InChIKey
FKNYEMVIVGBSGS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.9
TPSA
51.8
LogP / Solubility
WLOGP
0.97
MLOGP
0.86
XLogP3
0.5
Consensus LogP
0.78
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.99
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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