CAS RN: 19182-81-1
1,4-DINITROIMIDAZOLE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-089838
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
19182-81-1 / 1,4-dinitroimidazole
Basic Information
CAS
19182-81-1
Multi CAS
No
Molecular Formula
C3H2N4O4
Molecular Weight
158.070000
Exact Mass
158.007605
SMILES
C1=C(N=CN1[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C3H2N4O4/c8-6(9)3-1-5(2-4-3)7(10)11/h1-2H
InChIKey
HZPSREFSUPXCMN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
31.27
TPSA
104.1
LogP / Solubility
WLOGP
-0.17
MLOGP
-0.15
XLogP3
-0.2
Consensus LogP
-0.17
Log S (ESOL)
-0.92
Class (ESOL)
Very soluble
Log S (Ali)
-0.73
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.79
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)
-3.8
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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