CAS RN: 17788-47-5
5-nitro-1,4-Naphthalenedione
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250101 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260327 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20251123 | 10g | In stock | Shanghai | Inquiry | |
| Batchno.20250630 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250614 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250923 | 25g | In stock | Shanghai | Inquiry | |
| Batchno.20260522 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-077756
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 |
17788-47-5 / 5-nitronaphthalene-1,4-dione
Basic Information
CAS
17788-47-5
Multi CAS
No
Molecular Formula
C10H5NO4
Molecular Weight
203.150000
Exact Mass
203.021858
SMILES
C1=CC2=C(C(=O)C=CC2=O)C(=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H5NO4/c12-8-4-5-9(13)10-6(8)2-1-3-7(10)11(14)15/h1-5H
InChIKey
VSBOSAGJYNRBJN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
50.9
TPSA
77.28
LogP / Solubility
WLOGP
1.53
MLOGP
1.35
XLogP3
1.6
Consensus LogP
1.49
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.87
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
No
Synthetic Accessibility
1.5
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