CAS RN: 2421119-60-8
JKE-1674
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250315 | 100mg | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250321 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250613 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250429 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20251003 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260308 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250515 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2421119-60-8
- Purity/Analytical Methods: >99.0%
2421119-60-8 / (2E)-1-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxyimino-3-nitropropan-1-one
Basic Information
CAS
2421119-60-8
Multi CAS
No
Molecular Formula
C20H20Cl2N4O4
Molecular Weight
451.300000
Exact Mass
450.086161
SMILES
C1CN(CCN1C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C(=O)/C(=N/O)/C[N+](=O)[O-]
InChI
InChI=1S/C20H20Cl2N4O4/c21-16-5-1-14(2-6-16)19(15-3-7-17(22)8-4-15)24-9-11-25(12-10-24)20(27)18(23-28)13-26(29)30/h1-8,19,28H,9-13H2/b23-18+
InChIKey
XIOHKIAPXVDWCP-PTGBLXJZSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
1
Molar refractivity
113.98
TPSA
99.28
LogP / Solubility
WLOGP
3.33
MLOGP
2.96
XLogP3
4.7
Consensus LogP
3.66
Log S (ESOL)
-4.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.08
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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