CAS RN: 712-97-0
6-Nitropiperonal
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250625 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-180862
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 25g, 100g, 500g
- Available purity: ≥97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥97% | 5 In Stock | Hong Kong | Inquiry |
| 5g | ≥97% | 5 In Stock | Shenzhen | Inquiry |
| 25g | ≥97% | 2 In Stock | Hong Kong | Inquiry |
| 100g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
| 500g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
712-97-0 / 6-nitro-1,3-benzodioxole-5-carbaldehyde
Basic Information
CAS
712-97-0
Multi CAS
Yes
Molecular Formula
C8H5NO5
Molecular Weight
195.130000
Exact Mass
195.016772
InChI
InChI=1S/C8H5NO5/c10-3-5-1-7-8(14-4-13-7)2-6(5)9(11)12/h1-3H,4H2
InChIKey
NRZWECORTTWSEF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
44.61
TPSA
78.67
LogP / Solubility
WLOGP
1.14
MLOGP
1
XLogP3
1
Consensus LogP
1.05
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.11
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)
-3.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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