CAS RN: 57310-39-1
3-BROMO-4-CHLOROTOLUENE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-165423
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
- Available purity: ≥98%
- Inventory rows with stock: 4
- 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.
57310-39-1 / 2-bromo-1-chloro-4-methylbenzene
Basic Information
CAS
57310-39-1
Multi CAS
Yes
Molecular Formula
C7H6BRCL
Molecular Weight
205.480000
Exact Mass
203.934140
InChI
InChI=1S/C7H6BrCl/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3
InChIKey
UWXPTVKKHVOZLJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.14
Molar refractivity
43.89
TPSA
0.0000
LogP / Solubility
WLOGP
3.41
MLOGP
3
XLogP3
3.6
Consensus LogP
3.34
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
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)
-1.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
![CAS 57315-91-0 3-[(Dimethylamino)methylene]-2-indolinone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/57315-91-0.gif)
