CAS RN: 823-54-1
3-Bromo-4-chloroaniline
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
- Product code: SSC-190467
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, 500g
- 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 |
| 5g | ≥98% | 5 In Stock | Beijing | Inquiry |
| 10g | ≥98% | 3 In Stock | Shenzhen | Inquiry |
| 25g | ≥98% | 1 In Stock | Shenzhen | Inquiry |
| 100g | ≥98% | 1 In Stock | Beijing | Inquiry |
| 500g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
823-54-1 / 3-bromo-4-chloroaniline
Basic Information
CAS
823-54-1
Multi CAS
No
Molecular Formula
C6H5BRCLN
Molecular Weight
206.470000
Exact Mass
204.929390
InChI
InChI=1S/C6H5BrClN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2
InChIKey
FVZODFVCIDBDGS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.56
TPSA
26.02
LogP / Solubility
WLOGP
2.68
MLOGP
2.36
XLogP3
2.8
Consensus LogP
2.61
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
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)
-2.07
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
