CAS RN: 166734-83-4
(S)-Ornidazole
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.20250410 | 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS166734-83-4
- Purity/Analytical Methods: >99.0%
166734-83-4 / (2S)-1-chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
Basic Information
CAS
166734-83-4
Multi CAS
No
Molecular Formula
C7H10ClN3O3
Molecular Weight
219.620000
Exact Mass
219.041069
SMILES
CC1=NC=C(N1C[C@@H](CCl)O)[N+](=O)[O-]
InChI
InChI=1S/C7H10ClN3O3/c1-5-9-3-7(11(13)14)10(5)4-6(12)2-8/h3,6,12H,2,4H2,1H3/t6-/m1/s1
InChIKey
IPWKIXLWTCNBKN-ZCFIWIBFSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
50.35
TPSA
81.19
LogP / Solubility
WLOGP
0.7
MLOGP
0.62
XLogP3
0.6
Consensus LogP
0.64
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.15
Class (SILICOS-IT)
Moderately 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)
-3.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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