![CAS 852225-20-8 1-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]ethanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/852225-20-8.gif)
CAS RN: 852225-20-8
1-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]ethanone
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.20250904 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS852225-20-8
- Purity/Analytical Methods: >99.0%
852225-20-8 / 1-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]ethanone
Basic Information
CAS
852225-20-8
Multi CAS
No
Molecular Formula
C11H14N4O3
Molecular Weight
250.250000
Exact Mass
250.106590
InChI
InChI=1S/C11H14N4O3/c1-9(16)13-4-6-14(7-5-13)10-2-3-11(12-8-10)15(17)18/h2-3,8H,4-7H2,1H3
InChIKey
XRKWOGZOQWSBCT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
65.36
TPSA
79.58
LogP / Solubility
WLOGP
0.66
MLOGP
0.59
XLogP3
0.4
Consensus LogP
0.55
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.07
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)
-3.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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