![CAS 1883816-46-3 [1,2,4]Triazolo[1,5-a]pyridin-2-amine, 6-bromo-8-iodo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1883816-46-3.gif)
CAS RN: 1883816-46-3
[1,2,4]Triazolo[1,5-a]pyridin-2-amine, 6-bromo-8-iodo-
- Product code: SSC-087649
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1883816-46-3 / 6-bromo-8-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-amine
Basic Information
CAS
1883816-46-3
Multi CAS
No
Molecular Formula
C6H4BrIN4
Molecular Weight
338.930000
Exact Mass
337.866410
SMILES
C1=C(C2=NC(=NN2C=C1Br)N)I
InChI
InChI=1S/C6H4BrIN4/c7-3-1-4(8)5-10-6(9)11-12(5)2-3/h1-2H,(H2,9,11)
InChIKey
WOXGXKXJZDECDV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.82
TPSA
56.21
LogP / Solubility
WLOGP
1.68
MLOGP
1.49
XLogP3
1.7
Consensus LogP
1.62
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.6
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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