CAS RN: 2093536-12-8
4-Bromo-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250523 | 100g | Out of stock | Inquiry | |
| Batchno.20250130 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20250804 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260205 | 25g | In stock | Tianjin, Chengdu | Inquiry |
| Batchno.20250317 | 5g | In stock | Shenzhen, Tianjin, Wuhan | Inquiry |
- Product code: SSC-099183
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, 0.25g, 10g, 5g, 100g, 25g
- Available purity: >98%
- Inventory rows with stock: 5
- 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 | >98% | 5 In Stock | Shanghai | Inquiry |
| 0.25g | >98% | 3 In Stock | Beijing | Inquiry |
| 10g | >98% | 3 In Stock | Shenzhen | Inquiry |
| 5g | >98% | 1 In Stock | Shenzhen | Inquiry |
| 100g | >98% | 1 In Stock | Beijing | Inquiry |
| 25g | >98% | 0 Out of Stock | Beijing | Inquiry |
2093536-12-8 / 4-bromo-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Basic Information
CAS
2093536-12-8
Multi CAS
No
Molecular Formula
C13H9BrN2O4
Molecular Weight
337.120000
Exact Mass
335.974570
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)Br
InChI
InChI=1S/C13H9BrN2O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5H2,(H,15,17,18)
InChIKey
NUICQRZENMKDBW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.23
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
70.81
TPSA
83.55
LogP / Solubility
WLOGP
0.85
MLOGP
0.76
XLogP3
1
Consensus LogP
0.87
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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