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: 5g, 10g, 25g, 100g, 500g, 1000g
- Available purity: ≥97%
- 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 |
|---|---|---|---|---|
| 5g | ≥97% | 5 In Stock | Shanghai | Inquiry |
| 10g | ≥97% | 5 In Stock | Beijing | Inquiry |
| 25g | ≥97% | 5 In Stock | Beijing | Inquiry |
| 100g | ≥97% | 5 In Stock | Beijing | Inquiry |
| 500g | ≥97% | 4 In Stock | Hong Kong | Inquiry |
| 1000g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
84459-33-6 / 2-bromo-4-chlorobenzaldehyde
Basic Information
CAS
84459-33-6
Multi CAS
Yes
Molecular Formula
C7H4BRCLO
Molecular Weight
219.460000
Exact Mass
217.913410
InChI
InChI=1S/C7H4BrClO/c8-7-3-6(9)2-1-5(7)4-10/h1-4H
InChIKey
AJOAHIKYBSZIEV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
44.54
TPSA
17.07
LogP / Solubility
WLOGP
2.92
MLOGP
2.57
XLogP3
2.7
Consensus LogP
2.73
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
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)
-1.99
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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2,4-Dichlorobenzaldehyde
- CAS RN: 874-42-0
- Product Code: ICTD0330
- Purity/Analytical method: >95.0%(GC)
