CAS RN: 56136-84-6
4,5-METHYLENEDIOXY-2-NITROACETOPHENONE
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.20250917 | 100mg / 250mg / 1g / 5g / 10g / 50g | Confirm by inquiry | Shanghai, Shandong, Chongqing | Inquiry |
- Product code: SSC-164119
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, 10g, 25g, 100g
- Available purity: >97%
- Inventory rows with stock: 6
- 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 | -- | 1 In Stock | Hong Kong | Inquiry |
| 1g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 5g | -- | 1 In Stock | Hong Kong | Inquiry |
| 5g | >97% | 1 In Stock | Beijing | Inquiry |
| 10g | >97% | 1 In Stock | Shanghai | Inquiry |
| 25g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 10g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 25g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 100g | -- | 0 Out of Stock | Beijing | Inquiry |
| 100g | >97% | 0 Out of Stock | Beijing | Inquiry |
56136-84-6 / 1-(6-nitro-1,3-benzodioxol-5-yl)ethanone
Basic Information
CAS
56136-84-6
Multi CAS
Yes
Molecular Formula
C9H7NO5
Molecular Weight
209.160000
Exact Mass
209.032422
InChI
InChI=1S/C9H7NO5/c1-5(11)6-2-8-9(15-4-14-8)3-7(6)10(12)13/h2-3H,4H2,1H3
InChIKey
BQONDGIXVHVIIR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
49.22
TPSA
78.67
LogP / Solubility
WLOGP
1.53
MLOGP
1.34
XLogP3
1.2
Consensus LogP
1.36
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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