CAS RN: 16773-51-6
Ornidazole Impurity 5
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.20260116 | 25g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS16773-51-6
- Purity/Analytical Methods: >99.0%
16773-51-6 / 2-methyl-4-nitro-1-(oxiran-2-ylmethyl)imidazole
Basic Information
CAS
16773-51-6
Multi CAS
No
Molecular Formula
C7H9N3O3
Molecular Weight
183.160000
Exact Mass
183.064391
SMILES
CC1=NC(=CN1CC2CO2)[N+](=O)[O-]
InChI
InChI=1S/C7H9N3O3/c1-5-8-7(10(11)12)3-9(5)2-6-4-13-6/h3,6H,2,4H2,1H3
InChIKey
TUHYOMJIXVHZLL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
43.36
TPSA
73.49
LogP / Solubility
WLOGP
0.5
MLOGP
0.44
XLogP3
-0.2
Consensus LogP
0.25
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
Class (SILICOS-IT)
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)
-3.48
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
2
