CAS RN: 19183-14-3
4,5-Dinitroimidazole
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.20260311 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS19183-14-3
- Purity/Analytical Methods: >99.0%
19183-14-3 / 4,5-dinitro-1H-imidazole
Basic Information
CAS
19183-14-3
Multi CAS
No
Molecular Formula
C3H2N4O4
Molecular Weight
158.070000
Exact Mass
158.007605
SMILES
C1=NC(=C(N1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C3H2N4O4/c8-6(9)2-3(7(10)11)5-1-4-2/h1H,(H,4,5)
InChIKey
CCRNCEKMSVYFLU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
31.9
TPSA
114.96
LogP / Solubility
WLOGP
0.23
MLOGP
0.19
XLogP3
0.6
Consensus LogP
0.34
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-1.02
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.12
Class (SILICOS-IT)
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)
-3.52
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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