CAS RN: 209482-01-9
1-(2-methoxy-4-nitrophenyl)-4-methylpiperazine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250104 | 100mg / 250mg / 500mg | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: SSC-099243
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
209482-01-9 / 1-(2-methoxy-4-nitrophenyl)-4-methylpiperazine
Basic Information
CAS
209482-01-9
Multi CAS
No
Molecular Formula
C12H17N3O3
Molecular Weight
251.280000
Exact Mass
251.126991
SMILES
CN1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])OC
InChI
InChI=1S/C12H17N3O3/c1-13-5-7-14(8-6-13)11-4-3-10(15(16)17)9-12(11)18-2/h3-4,9H,5-8H2,1-2H3
InChIKey
PCDGXHKODGQGON-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
69.36
TPSA
58.85
LogP / Solubility
WLOGP
1.36
MLOGP
1.2
XLogP3
1.7
Consensus LogP
1.42
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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