CAS RN: 2075-46-9
4-Nitropyrazole
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250224 | 100g | In stock | Shanghai, Shandong | Inquiry | |
| Batchno.20250216 | 2.5kg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20251114 | 25g | In stock | Shanghai, Shandong, Chongqing | Inquiry | |
| Batchno.20260630 | 500g | In stock | Shandong | Inquiry | |
| Batchno.20250810 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-097678
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, 100g, 500g, 1000g
- Available purity: >98%
- Inventory rows with stock: 6
- 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% | 5 In Stock | Shanghai | Inquiry |
| 10g | >98% | 5 In Stock | Shanghai | Inquiry |
| 25g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 100g | >98% | 5 In Stock | Beijing | Inquiry |
| 500g | >98% | 5 In Stock | Shanghai | Inquiry |
| 1000g | >98% | 5 In Stock | Shanghai | Inquiry |
2075-46-9 / 4-nitro-1H-pyrazole
Basic Information
CAS
2075-46-9
Multi CAS
No
Molecular Formula
C3H3N3O2
Molecular Weight
113.080000
Exact Mass
113.022526
SMILES
C1=C(C=NN1)[N+](=O)[O-]
InChI
InChI=1S/C3H3N3O2/c7-6(8)3-1-4-5-2-3/h1-2H,(H,4,5)
InChIKey
XORHNJQEWQGXCN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
25.24
TPSA
71.82
LogP / Solubility
WLOGP
0.32
MLOGP
0.27
XLogP3
0.6
Consensus LogP
0.4
Log S (ESOL)
-1.14
Class (ESOL)
Soluble
Log S (Ali)
-0.72
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.78
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)
-3.18
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
