![CAS 2826-24-6 2-[(4-BROMOPHENYL)METHYLENE]MALONONITRILE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB9281299.gif)
CAS RN: 2826-24-6
2-[(4-BROMOPHENYL)METHYLENE]MALONONITRILE
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-129146
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: 0.1g, 0.25g, 1g, 5g, 10g
- Available purity: >95%
- 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 |
|---|---|---|---|---|
| 0.1g | >95% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 1 In Stock | Beijing | Inquiry |
| 1g | >95% | 1 In Stock | Shanghai | Inquiry |
| 5g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 10g | >95% | 1 In Stock | Beijing | Inquiry |
2826-24-6 / 2-[(4-bromophenyl)methylidene]propanedinitrile
Basic Information
CAS
2826-24-6
Multi CAS
Yes
Molecular Formula
BC10H5Rn2
Molecular Weight
233.060000
Exact Mass
231.963610
InChI
InChI=1S/C10H5BrN2/c11-10-3-1-8(2-4-10)5-9(6-12)7-13/h1-5H
InChIKey
MYMFYWGVTXOLRG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
53.35
TPSA
47.58
LogP / Solubility
WLOGP
2.88
MLOGP
2.54
XLogP3
2.9
Consensus LogP
2.77
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
Class (SILICOS-IT)
Poorly 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)
-2.1
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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