![CAS 888721-83-3 6-broMopyrrolo[1,2-f][1,2,4]triazin-4(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/888721-83-3.gif)
CAS RN: 888721-83-3
6-broMopyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
- Product code: SSC-200589
Verified Factory Data
Supply Overview & Packaging Options
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: 5g, 10g, 1g, 25g, 100g
- Available purity: ≥98%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥98% | 3 In Stock | Shenzhen | Inquiry |
| 10g | ≥98% | 3 In Stock | Shenzhen | Inquiry |
| 1g | ≥98% | 2 In Stock | Hong Kong | Inquiry |
| 25g | ≥98% | 2 In Stock | Shenzhen | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
888721-83-3 / 6-bromo-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
Basic Information
CAS
888721-83-3
Multi CAS
Yes
Molecular Formula
BC6H4ORn3
Molecular Weight
214.020000
Exact Mass
212.953770
InChI
InChI=1S/C6H4BrN3O/c7-4-1-5-6(11)8-3-9-10(5)2-4/h1-3H,(H,8,9,11)
InChIKey
ISWMRQCCABXILJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.51
TPSA
50.16
LogP / Solubility
WLOGP
0.79
MLOGP
0.69
XLogP3
0.9
Consensus LogP
0.79
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
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)
-3.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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