CAS RN: 1823881-28-2
2-Amino-6-chloro-3-iodopyrazine
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Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: ≥95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
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Recorded sizes, purity and stock details for CAS 1823881-28-2
| Pack Size |
Recorded Purity |
Available Qty |
Ship From |
Inquiry |
| 0.1g |
≥95% |
2
In Stock
|
Shenzhen |
Inquiry |
| 0.25g |
≥95% |
2
In Stock
|
Beijing |
Inquiry |
| 1g |
≥95% |
2
In Stock
|
Shenzhen |
Inquiry |
1823881-28-2 / 6-chloro-3-iodopyrazin-2-amine
Standard CAS: 1823881-28-2
Multi CAS: No
Basic Information
CAS
1823881-28-2
Multi CAS
No
Molecular Formula
C4H3ClIN3
Molecular Weight
255.440000
Exact Mass
254.906020
SMILES
C1=C(N=C(C(=N1)I)N)Cl
InChI
InChI=1S/C4H3ClIN3/c5-2-1-8-3(6)4(7)9-2/h1H,(H2,7,9)
InChIKey
UVYUUBHKMKSIJE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.17
TPSA
51.8
LogP / Solubility
WLOGP
1.32
MLOGP
1.17
XLogP3
1.1
Consensus LogP
1.2
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
Class (SILICOS-IT)
Moderately 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)
-3.34
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