CAS RN: 556-96-7
5-Bromo-m-xylene
Product Availability
Choose a grade to view its available package options.
9 package records8 with current stock2 grade groups
- Product code: SSC-163535
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, 1000g
- Available purity: >98%
- Inventory rows with stock: 9
- 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 | -- | 5 In Stock | Shanghai | Inquiry |
| 5g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 10g | -- | 5 In Stock | Shenzhen | Inquiry |
| 10g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 25g | -- | 5 In Stock | Shanghai | Inquiry |
| 25g | >98% | 5 In Stock | Shanghai | Inquiry |
| 100g | -- | 5 In Stock | Hong Kong | Inquiry |
| 100g | >98% | 5 In Stock | Shanghai | Inquiry |
| 1000g | -- | 1 In Stock | Beijing | Inquiry |
556-96-7 / 1-bromo-3,5-dimethylbenzene
Basic Information
CAS
556-96-7
Multi CAS
Yes
Molecular Formula
C8H9BR
Molecular Weight
185.060000
Exact Mass
183.988760
InChI
InChI=1S/C8H9Br/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3
InChIKey
LMFRTSBQRLSJHC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.25
Molar refractivity
43.62
TPSA
0.0000
LogP / Solubility
WLOGP
3.07
MLOGP
2.7
XLogP3
3.4
Consensus LogP
3.06
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
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)
-1.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
