CAS RN: 2089311-22-6
5,6-Dichloro-3-iodopyrazin-2-amine
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.20251004 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LIND900486
2089311-22-6 / 5,6-dichloro-3-iodopyrazin-2-amine
Basic Information
CAS
2089311-22-6
Multi CAS
No
Molecular Formula
C4H2Cl2IN3
Molecular Weight
289.890000
Exact Mass
288.867050
SMILES
C1(=C(N=C(C(=N1)Cl)Cl)I)N
InChI
InChI=1S/C4H2Cl2IN3/c5-1-2(6)10-4(8)3(7)9-1/h(H2,8,10)
InChIKey
HTQIBHPEVIOGGS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.18
TPSA
51.8
LogP / Solubility
WLOGP
1.97
MLOGP
1.74
XLogP3
2
Consensus LogP
1.9
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.18
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
![CAS 24072-75-1 5,6-Dichlorobenzo[d]thiazol-2-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/24072-75-1.png)
![CAS 74545-26-9 5,6-Dibromo-1H-benzo[d]imidazole molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/74545-26-9.png)
