![CAS 55457-17-5 Pyrazolo[1,5-a]-1,3,5-triazin-4(1H)-one, 2-methyl- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/55457-17-5.gif)
CAS RN: 55457-17-5
Pyrazolo[1,5-a]-1,3,5-triazin-4(1H)-one, 2-methyl- (9CI)
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.20250928 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-163381
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 | Beijing | Inquiry |
55457-17-5 / 2-methyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
Basic Information
CAS
55457-17-5
Multi CAS
Yes
Molecular Formula
C6H6N4O
Molecular Weight
150.140000
Exact Mass
150.054161
InChI
InChI=1S/C6H6N4O/c1-4-8-5-2-3-7-10(5)6(11)9-4/h2-3H,1H3,(H,8,9,11)
InChIKey
HXEKFHWAIWTJQU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.17
H-bond acceptors
4
H-bond donors
1
Molar refractivity
38.34
TPSA
63.05
LogP / Solubility
WLOGP
-0.27
MLOGP
-0.25
XLogP3
-0.2
Consensus LogP
-0.24
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-0.59
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.41
Class (SILICOS-IT)
Very 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)
-3.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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