![CAS 118000-57-0 6-nitro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/118000-57-0.gif)
CAS RN: 118000-57-0
6-nitro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
Product Availability
Available package options are listed below.
1 package records1 with current stock
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250519 | 1g / 5g / 10g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS118000-57-0
- Purity/Analytical Methods: >99.0%
118000-57-0 / 6-nitro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
6-Nitro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine | Imidazo[1,2-a]pyridine, 6-nitro-2-(4-nitrophenyl)- | MFCD00417871
Basic Information
CAS
118000-57-0
Multi CAS
No
Molecular Formula
C13H8N4O4
Molecular Weight
284.230000
Exact Mass
284.054555
SMILES
C1=CC(=CC=C1C2=CN3C=C(C=CC3=N2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C13H8N4O4/c18-16(19)10-3-1-9(2-4-10)12-8-15-7-11(17(20)21)5-6-13(15)14-12/h1-8H
InChIKey
FZIBIOFNSKXAJW-UHFFFAOYSA-N
Synonyms
6-Nitro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
Imidazo[1,2-a]pyridine, 6-nitro-2-(4-nitrophenyl)-
MFCD00417871
6-NITRO-2-(4-NITROPHENYL)-IMIDAZO[1,2-A]PYRIDINE
SCHEMBL10172979
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
73.94
TPSA
103.58
LogP / Solubility
WLOGP
2.82
MLOGP
2.49
XLogP3
3.1
Consensus LogP
2.8
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.21
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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