CAS RN: 79839-49-9
2-Bromoisophthalaldehyde
Product Availability
Choose a grade to view its available package options.
9 package records7 with current stock2 grade groups
- Product code: SSC-188891
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: 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% | 1 In Stock | Shenzhen | Inquiry |
| 10g | ≥97% | 1 In Stock | Shenzhen | Inquiry |
| 25g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
| 100g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
79839-49-9 / 2-bromobenzene-1,3-dicarbaldehyde
Basic Information
CAS
79839-49-9
Multi CAS
No
Molecular Formula
C8H5BRO2
Molecular Weight
213.030000
Exact Mass
211.947290
InChI
InChI=1S/C8H5BrO2/c9-8-6(4-10)2-1-3-7(8)5-11/h1-5H
InChIKey
RZUSSKMZLHKMHU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
44.92
TPSA
34.14
LogP / Solubility
WLOGP
2.07
MLOGP
1.83
XLogP3
1.5
Consensus LogP
1.8
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
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)
-2.55
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
