CAS RN: 7119-95-1
1-Nitropyrazole
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260225 | 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong, Guangdong | Inquiry |
- Product code: SSC-180841
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, 25g
- Available purity: ≥97%
- Inventory rows with stock: 3
- 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.
7119-95-1 / 1-nitropyrazole
Basic Information
CAS
7119-95-1
Multi CAS
Yes
Molecular Formula
C3H3N3O2
Molecular Weight
113.080000
Exact Mass
113.022526
InChI
InChI=1S/C3H3N3O2/c7-6(8)5-3-1-2-4-5/h1-3H
InChIKey
TYNVOQYGXDUHRX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
24.62
TPSA
60.96
LogP / Solubility
WLOGP
-0.08
MLOGP
-0.08
XLogP3
0.5
Consensus LogP
0.11
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-0.43
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.45
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)
-3.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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