CAS RN: 956951-01-2
2-(3-nitro-1H-pyrazol-1-yl)ethanol
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.20250118 | 1g / 5g / 10g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-211256
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: 0.1g, 0.25g, 5g, 10g, 1g, 25g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 5 In Stock | Shanghai | Inquiry |
| 0.25g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 5g | ≥95% | 4 In Stock | Beijing | Inquiry |
| 10g | ≥95% | 4 In Stock | Hong Kong | Inquiry |
| 1g | ≥95% | 2 In Stock | Shanghai | Inquiry |
| 25g | ≥95% | 1 In Stock | Hong Kong | Inquiry |
956951-01-2 / 2-(3-nitropyrazol-1-yl)ethanol
Basic Information
CAS
956951-01-2
Multi CAS
No
Molecular Formula
C5H7N3O3
Molecular Weight
157.130000
Exact Mass
157.048741
InChI
InChI=1S/C5H7N3O3/c9-4-3-7-2-1-5(6-7)8(10)11/h1-2,9H,3-4H2
InChIKey
ZNXOQNWQSFRXTL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
35.97
TPSA
81.19
LogP / Solubility
WLOGP
-0.22
MLOGP
-0.2
XLogP3
-0.4
Consensus LogP
-0.27
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-0.69
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.86
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
No
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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