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, 100g, 10g, 25g, 1g, 500g
- Available purity: >98%
- Inventory rows with stock: 6
- 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 | >98% | 5 In Stock | Shenzhen | Inquiry |
| 100g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 10g | >98% | 4 In Stock | Hong Kong | Inquiry |
| 25g | >98% | 2 In Stock | Shanghai | Inquiry |
| 1g | >98% | 1 In Stock | Shanghai | Inquiry |
| 500g | >98% | 1 In Stock | Shenzhen | Inquiry |
85482-13-9 / 2-(bromomethyl)-1,4-dichlorobenzene
Basic Information
CAS
85482-13-9
Multi CAS
No
Molecular Formula
C7H5BRCL2
Molecular Weight
239.920000
Exact Mass
237.895170
InChI
InChI=1S/C7H5BrCl2/c8-4-5-3-6(9)1-2-7(5)10/h1-3H,4H2
InChIKey
UUVDOPTUDWJHFK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
Molar refractivity
49.09
TPSA
0.0000
LogP / Solubility
WLOGP
3.89
MLOGP
3.43
XLogP3
3.7
Consensus LogP
3.67
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.42
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
