CAS RN: 552330-86-6
5-Bromoisoindolin-1-one
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.20251011 | 1g / 5g / 25g | Confirm by inquiry | Shandong | 5-7 business days | Inquiry |
- Product code: SSC-163075
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, 10g, 5g, 25g, 100g, 500g
- Available purity: >95%
- 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 | >95% | 5 In Stock | Shenzhen | Inquiry |
| 10g | >95% | 5 In Stock | Shanghai | Inquiry |
| 5g | >95% | 3 In Stock | Shanghai | Inquiry |
| 25g | >95% | 0 Out of Stock | Hong Kong | Inquiry |
| 100g | >95% | 0 Out of Stock | Shanghai | Inquiry |
| 500g | >95% | 0 Out of Stock | Beijing | Inquiry |
552330-86-6 / 5-bromo-2,3-dihydroisoindol-1-one
Basic Information
CAS
552330-86-6
Multi CAS
No
Molecular Formula
BC8H6ORn
Molecular Weight
212.040000
Exact Mass
210.963280
InChI
InChI=1S/C8H6BrNO/c9-6-1-2-7-5(3-6)4-10-8(7)11/h1-3H,4H2,(H,10,11)
InChIKey
WJNKJYJCWXMBNV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.31
TPSA
29.1
LogP / Solubility
WLOGP
1.69
MLOGP
1.49
XLogP3
1.5
Consensus LogP
1.56
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
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)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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