CAS RN: 98873-55-3
(1-Imidazolyl)acetonitrile
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251001 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-212855
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: 1g, 5g, 10g, 100g, 25g, 1000g
- Available purity: ≥95%
- Inventory rows with stock: 10
- 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 |
|---|---|---|---|---|
| 1g | -- | 4 In Stock | Shenzhen | Inquiry |
| 1g | ≥95% | 4 In Stock | Shanghai | Inquiry |
| 5g | -- | 4 In Stock | Shenzhen | Inquiry |
| 5g | ≥95% | 4 In Stock | Beijing | Inquiry |
| 10g | -- | 4 In Stock | Hong Kong | Inquiry |
| 10g | ≥95% | 4 In Stock | Hong Kong | Inquiry |
| 100g | -- | 4 In Stock | Shanghai | Inquiry |
| 100g | ≥95% | 4 In Stock | Beijing | Inquiry |
| 25g | -- | 2 In Stock | Beijing | Inquiry |
| 25g | ≥95% | 2 In Stock | Hong Kong | Inquiry |
| 1000g | -- | 0 Out of Stock | Shanghai | Inquiry |
98873-55-3 / 2-imidazol-1-ylacetonitrile
Basic Information
CAS
98873-55-3
Multi CAS
No
Molecular Formula
C5H5N3
Molecular Weight
107.110000
Exact Mass
107.048347
InChI
InChI=1S/C5H5N3/c6-1-3-8-4-2-7-5-8/h2,4-5H,3H2
InChIKey
ZPGCVVBPGQJSPX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
27.84
TPSA
41.61
LogP / Solubility
WLOGP
0.41
MLOGP
0.35
XLogP3
-0.1
Consensus LogP
0.22
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-0.73
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.81
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)
-3.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
