![CAS 882517-92-2 9-Bromo-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/882517-92-2.gif)
CAS RN: 882517-92-2
9-Bromo-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
- Product code: SSC-198787
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
882517-92-2 / 9-bromo-9H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
Basic Information
CAS
882517-92-2
Multi CAS
Yes
Molecular Formula
BC9H5ORn4
Molecular Weight
265.070000
Exact Mass
263.964670
InChI
InChI=1S/C9H5BrN4O/c10-5-1-2-7-6(3-5)8-11-4-12-14(8)9(15)13-7/h1-4H,(H,13,15)
InChIKey
HLXDEXWXUULCPP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.11
H-bond acceptors
5
Molar refractivity
58.48
TPSA
60.15
LogP / Solubility
WLOGP
-0.23
MLOGP
-0.19
XLogP3
1.2
Consensus LogP
0.26
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
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)
-4.5
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
2
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