CAS RN: 13682-18-3
2-(3-NITRO-PHENYL)-1H-IMIDAZOLE
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.20250731 | 100mg / 250mg / 1g / 5g / 10g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-045949
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, 0.1g, 0.25g, 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 |
|---|---|---|---|---|
| 5g | >95% | 4 In Stock | Shanghai | Inquiry |
| 0.1g | >95% | 3 In Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 3 In Stock | Shanghai | Inquiry |
| 10g | >95% | 3 In Stock | Shenzhen | Inquiry |
| 1g | >95% | 2 In Stock | Shenzhen | Inquiry |
| 25g | >95% | 2 In Stock | Beijing | Inquiry |
13682-18-3 / 2-(3-nitrophenyl)-1H-imidazole
Basic Information
CAS
13682-18-3
Multi CAS
No
Molecular Formula
C9H7N3O2
Molecular Weight
189.170000
Exact Mass
189.053826
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC=CN2
InChI
InChI=1S/C9H7N3O2/c13-12(14)8-3-1-2-7(6-8)9-10-4-5-11-9/h1-6H,(H,10,11)
InChIKey
ZPWKGNWCVRBHJB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.68
TPSA
71.82
LogP / Solubility
WLOGP
1.98
MLOGP
1.75
XLogP3
1.7
Consensus LogP
1.81
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.46
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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